N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide

C14H17NO2S2 — CID 38256287

IUPACN-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-11(2)14(13-9-6-10-18-13)15-19(16,17)12-7-4-3-5-8-12/h3-11,14-15H,1-2H3/t14-/m0/s1
InChIKeyHKPBNWWVKVQXCT-AWEZNQCLSA-N
MW295.43 g/mol
LogP3.42
Rot. Bonds5

About N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide

N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide (PubChem CID 38256287) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
PubChem CID38256287
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-11(2)14(13-9-6-10-18-13)15-19(16,17)12-7-4-3-5-8-12/h3-11,14-15H,1-2H3/t14-/m0/s1
InChIKeyHKPBNWWVKVQXCT-AWEZNQCLSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide
CID 62157709
N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide
CID 1116511
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
CID 63420862
5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64609039
N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46613254
N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110846
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110842
methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
N-[thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 121021426
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide
CID 2307159

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide?
The IUPAC name of N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide (CID 38256287) is N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide?
The canonical SMILES for N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide?
The InChIKey is HKPBNWWVKVQXCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-11(2)14(13-9-6-10-18-13)15-19(16,17)12-7-4-3-5-8-12/h3-11,14-15H,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide?
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide is sourced from PubChem (CID 38256287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).