4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide

C15H24N2O2S2 — CID 80609830

IUPAC4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC2CCCCS2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-2-10-16-13-6-8-15(9-7-13)21(18,19)17-12-14-5-3-4-11-20-14/h6-9,14,16-17H,2-5,10-12H2,1H3
InChIKeyUNIQNLOFFDVXGN-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.07
Rot. Bonds7

About 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide

4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide (PubChem CID 80609830) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
PubChem CID80609830
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC2CCCCS2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-2-10-16-13-6-8-15(9-7-13)21(18,19)17-12-14-5-3-4-11-20-14/h6-9,14,16-17H,2-5,10-12H2,1H3
InChIKeyUNIQNLOFFDVXGN-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

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Related Compounds

N-propyl-4-(thian-2-ylmethylamino)benzenesulfonamide
CID 80609269
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62146549
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071732
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80586512

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide (CID 80609830) is 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NCC2CCCCS2)cc1.
What is the InChIKey of 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide?
The InChIKey is UNIQNLOFFDVXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-2-10-16-13-6-8-15(9-7-13)21(18,19)17-12-14-5-3-4-11-20-14/h6-9,14,16-17H,2-5,10-12H2,1H3.
What are the key properties of 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide?
4-(propylamino)-N-(thian-2-ylmethyl)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 4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 80609830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).