5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide

C13H21ClN2O2S2 — CID 103100371

IUPAC5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-3-8-16(11-4-6-15-7-5-11)20(17,18)12-9-10(2)13(14)19-12/h9,11,15H,3-8H2,1-2H3
InChIKeySEJYJTPOTDYTGM-UHFFFAOYSA-N
MW336.91 g/mol
LogP2.86
Rot. Bonds5

About 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide

5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide (PubChem CID 103100371) has the molecular formula C13H21ClN2O2S2 and a molecular weight of 336.91 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
PubChem CID103100371
Molecular FormulaC13H21ClN2O2S2
Molecular Weight336.91 g/mol
Exact Mass336.07
IUPAC Name5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-3-8-16(11-4-6-15-7-5-11)20(17,18)12-9-10(2)13(14)19-12/h9,11,15H,3-8H2,1-2H3
InChIKeySEJYJTPOTDYTGM-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103951467
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 80745692
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467
methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119994102
5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
CID 103100693
5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide (CID 103100371) is 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide?
The InChIKey is SEJYJTPOTDYTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S2/c1-3-8-16(11-4-6-15-7-5-11)20(17,18)12-9-10(2)13(14)19-12/h9,11,15H,3-8H2,1-2H3.
What are the key properties of 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide?
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide has a molecular weight of 336.91 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 103100371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).