N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide

C19H28N2O4S — CID 155503072

IUPACN-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide
SMILESCCc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)ccc1OC
InChIInChI=1S/C19H28N2O4S/c1-3-13-8-17(6-7-18(13)24-2)26(22,23)20-15-9-16-12-25-19(14-4-5-14)11-21(16)10-15/h6-8,14-16,19-20H,3-5,9-12H2,1-2H3/t15-,16+,19-/m1/s1
InChIKeyBXXRZKJEOSCZHD-JTDSTZFVSA-N
MW380.51 g/mol
LogP1.79
Rot. Bonds6

About N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide

N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide (PubChem CID 155503072) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide
PubChem CID155503072
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide
SMILESCCc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)ccc1OC
InChIInChI=1S/C19H28N2O4S/c1-3-13-8-17(6-7-18(13)24-2)26(22,23)20-15-9-16-12-25-19(14-4-5-14)11-21(16)10-15/h6-8,14-16,19-20H,3-5,9-12H2,1-2H3/t15-,16+,19-/m1/s1
InChIKeyBXXRZKJEOSCZHD-JTDSTZFVSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-propan-2-ylbenzenesulfonamide
CID 155500727
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,4-dimethylbenzenesulfonamide
CID 155916516
N-[(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-8-sulfonamide
CID 154818890
N-[(6aS,8S)-5-methyl-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3,4-dimethoxybenzenesulfonamide
CID 155901728
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135110468
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 154821589
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-propanoylphenoxy)acetamide
CID 154817657
4-methoxy-3-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868838
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-cyanobenzenesulfonamide
CID 155503424
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide (CID 155503072) is N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide is CCc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)ccc1OC.
What is the InChIKey of N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is BXXRZKJEOSCZHD-JTDSTZFVSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-3-13-8-17(6-7-18(13)24-2)26(22,23)20-15-9-16-12-25-19(14-4-5-14)11-21(16)10-15/h6-8,14-16,19-20H,3-5,9-12H2,1-2H3/t15-,16+,19-/m1/s1.
What are the key properties of N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide?
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 155503072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).