5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide

C13H21ClN2O2S2 — CID 106630606

IUPAC5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC1CCCCN1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-2-9-16(10-11-5-3-4-8-15-11)20(17,18)13-7-6-12(14)19-13/h6-7,11,15H,2-5,8-10H2,1H3
InChIKeyOIIACTRCLBXVMQ-UHFFFAOYSA-N
MW336.91 g/mol
LogP2.94
Rot. Bonds6

About 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide

5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide (PubChem CID 106630606) has the molecular formula C13H21ClN2O2S2 and a molecular weight of 336.91 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide
PubChem CID106630606
Molecular FormulaC13H21ClN2O2S2
Molecular Weight336.91 g/mol
Exact Mass336.07
IUPAC Name5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC1CCCCN1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-2-9-16(10-11-5-3-4-8-15-11)20(17,18)13-7-6-12(14)19-13/h6-7,11,15H,2-5,8-10H2,1H3
InChIKeyOIIACTRCLBXVMQ-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
5-bromo-N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106609210
N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 106630692
2-chloro-4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608467
2-[[cyclopropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106630652
N-(piperidin-2-ylmethyl)-N-propylcyclohexanesulfonamide
CID 106630664
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide (CID 106630606) is 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide is CCCN(CC1CCCCN1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide?
The InChIKey is OIIACTRCLBXVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S2/c1-2-9-16(10-11-5-3-4-8-15-11)20(17,18)13-7-6-12(14)19-13/h6-7,11,15H,2-5,8-10H2,1H3.
What are the key properties of 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide?
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide has a molecular weight of 336.91 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 106630606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).