N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide

C15H18N2O2S2 — CID 62840863

IUPACN-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccccc1S(=O)(=O)NC1CC1)c1ccsc1
InChIInChI=1S/C15H18N2O2S2/c1-11(12-8-9-20-10-12)16-14-4-2-3-5-15(14)21(18,19)17-13-6-7-13/h2-5,8-11,13,16-17H,6-7H2,1H3
InChIKeyNCDDCCLKAGDMEU-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.36
Rot. Bonds6

About N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide

N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide (PubChem CID 62840863) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide
PubChem CID62840863
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccccc1S(=O)(=O)NC1CC1)c1ccsc1
InChIInChI=1S/C15H18N2O2S2/c1-11(12-8-9-20-10-12)16-14-4-2-3-5-15(14)21(18,19)17-13-6-7-13/h2-5,8-11,13,16-17H,6-7H2,1H3
InChIKeyNCDDCCLKAGDMEU-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(5-methylhexan-2-ylamino)benzenesulfonamide
CID 63925494
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
2-(4-aminopentylamino)-N-cyclopropylbenzenesulfonamide
CID 106127786
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 115923359
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide (CID 62840863) is N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide is CC(Nc1ccccc1S(=O)(=O)NC1CC1)c1ccsc1.
What is the InChIKey of N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The InChIKey is NCDDCCLKAGDMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11(12-8-9-20-10-12)16-14-4-2-3-5-15(14)21(18,19)17-13-6-7-13/h2-5,8-11,13,16-17H,6-7H2,1H3.
What are the key properties of N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide?
N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide has a molecular weight of 322.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 62840863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).