N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C18H24N4O3S — CID 155495376

IUPACN-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1
InChIInChI=1S/C18H24N4O3S/c1-12-18(13(2)20-19-12)26(23,24)21-15-8-16-11-25-17(10-22(16)9-15)14-6-4-3-5-7-14/h3-7,15-17,21H,8-11H2,1-2H3,(H,19,20)/t15-,16+,17-/m1/s1
InChIKeyVTXAXUIKIBZGKZ-IXDOHACOSA-N
MW376.48 g/mol
LogP1.52
Rot. Bonds4

About N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 155495376) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID155495376
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1
InChIInChI=1S/C18H24N4O3S/c1-12-18(13(2)20-19-12)26(23,24)21-15-8-16-11-25-17(10-22(16)9-15)14-6-4-3-5-7-14/h3-7,15-17,21H,8-11H2,1-2H3,(H,19,20)/t15-,16+,17-/m1/s1
InChIKeyVTXAXUIKIBZGKZ-IXDOHACOSA-N
XLogP1.52
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide 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,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-[(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-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104693811
3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 110735903
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154821183
(3S,7R,8aS)-N-cyclopentyl-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155505223
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740590
methyl (2S,4S)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-1-methylpyrrolidine-2-carboxylate
CID 50959237
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-methyloxetane-3-carboxamide
CID 155502996
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031148
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]pyridine-4-carboxamide
CID 154820381
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,6-dichlorobenzenesulfonamide
CID 154822472

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 155495376) is N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1.
What is the InChIKey of N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VTXAXUIKIBZGKZ-IXDOHACOSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-12-18(13(2)20-19-12)26(23,24)21-15-8-16-11-25-17(10-22(16)9-15)14-6-4-3-5-7-14/h3-7,15-17,21H,8-11H2,1-2H3,(H,19,20)/t15-,16+,17-/m1/s1.
What are the key properties of N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 155495376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).