N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide

C18H24N2O3S2 — CID 70235426

IUPACN-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC[C@H]1c1ccc(-c2ccc(N)s2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-12(2)25(21,22)20-16-11-23-10-9-15(16)13-3-5-14(6-4-13)17-7-8-18(19)24-17/h3-8,12,15-16,20H,9-11,19H2,1-2H3/t15-,16-/m0/s1
InChIKeyIGCNSAQANFSJIS-HOTGVXAUSA-N
MW380.54 g/mol
LogP3.20
Rot. Bonds5

About N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide

N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide (PubChem CID 70235426) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide
PubChem CID70235426
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC[C@H]1c1ccc(-c2ccc(N)s2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-12(2)25(21,22)20-16-11-23-10-9-15(16)13-3-5-14(6-4-13)17-7-8-18(19)24-17/h3-8,12,15-16,20H,9-11,19H2,1-2H3/t15-,16-/m0/s1
InChIKeyIGCNSAQANFSJIS-HOTGVXAUSA-N
XLogP3.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-[4-(5-cyanothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide
CID 45279671
N-[(3S,4S)-4-(4-phenylphenyl)oxan-3-yl]propane-2-sulfonamide
CID 67310109
N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide
CID 68550671
N-methyl-4-[4-[(3R,4R)-3-(propan-2-ylsulfonylamino)oxan-4-yl]phenyl]benzamide
CID 68545500
N-[(3R,4R)-4-[4-(2-ethoxyphenyl)phenyl]oxan-3-yl]propane-2-sulfonamide
CID 45279394
N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide
CID 68544505
N-[(3S,4R)-3-[4-(4-cyanophenyl)phenyl]oxan-4-yl]propane-2-sulfonamide
CID 58350014
N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
CID 69112377
N-[3-[4-(2-cyanophenyl)phenyl]oxan-4-yl]propane-2-sulfonamide
CID 75092793
N-[(3S,4S)-4-[4-(5-isocyanothiophen-2-yl)phenoxy]oxolan-3-yl]propane-2-sulfonamide
CID 155654312
N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
CID 68913061
N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
CID 59103244

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide (CID 70235426) is N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1COCC[C@H]1c1ccc(-c2ccc(N)s2)cc1.
What is the InChIKey of N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The InChIKey is IGCNSAQANFSJIS-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-12(2)25(21,22)20-16-11-23-10-9-15(16)13-3-5-14(6-4-13)17-7-8-18(19)24-17/h3-8,12,15-16,20H,9-11,19H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide?
N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide has a molecular weight of 380.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[4-(5-aminothiophen-2-yl)phenyl]oxan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 70235426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).