N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide

C15H24N2O2S2 — CID 80609269

IUPACN-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCC2CCCCS2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-2-10-17-21(18,19)15-8-6-13(7-9-15)16-12-14-5-3-4-11-20-14/h6-9,14,16-17H,2-5,10-12H2,1H3
InChIKeyLWEDTXMWWPONBH-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.07
Rot. Bonds7

About N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide

N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide (PubChem CID 80609269) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide
PubChem CID80609269
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCC2CCCCS2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-2-10-17-21(18,19)15-8-6-13(7-9-15)16-12-14-5-3-4-11-20-14/h6-9,14,16-17H,2-5,10-12H2,1H3
InChIKeyLWEDTXMWWPONBH-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide 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-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
1-[4-(thiolan-2-ylmethylamino)phenyl]ethanone
CID 114468322
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide (CID 80609269) is N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide is CCCNS(=O)(=O)c1ccc(NCC2CCCCS2)cc1.
What is the InChIKey of N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide?
The InChIKey is LWEDTXMWWPONBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-2-10-17-21(18,19)15-8-6-13(7-9-15)16-12-14-5-3-4-11-20-14/h6-9,14,16-17H,2-5,10-12H2,1H3.
What are the key properties of N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide?
N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 80609269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).