3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide

C12H22N2O2S2 — CID 54972175

IUPAC3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C12H22N2O2S2/c1-10(2)13-7-5-9-18(15,16)14-11(3)12-6-4-8-17-12/h4,6,8,10-11,13-14H,5,7,9H2,1-3H3
InChIKeyBQCVKILANZAREC-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.12
Rot. Bonds8

About 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide

3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide (PubChem CID 54972175) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide
PubChem CID54972175
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C12H22N2O2S2/c1-10(2)13-7-5-9-18(15,16)14-11(3)12-6-4-8-17-12/h4,6,8,10-11,13-14H,5,7,9H2,1-3H3
InChIKeyBQCVKILANZAREC-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-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

4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
CID 102676201
N-(dithiophen-2-ylmethyl)-3-methylsulfonylpropan-1-amine
CID 54905323
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
N-(1-phenylpropan-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106062418
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 106053458
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide (CID 54972175) is 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NC(C)c1cccs1.
What is the InChIKey of 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide?
The InChIKey is BQCVKILANZAREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-10(2)13-7-5-9-18(15,16)14-11(3)12-6-4-8-17-12/h4,6,8,10-11,13-14H,5,7,9H2,1-3H3.
What are the key properties of 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide?
3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 54972175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).