5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide

C12H19ClN2O2S2 — CID 106630812

IUPAC5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCNC2)sc1Cl
InChIInChI=1S/C12H19ClN2O2S2/c1-9-6-11(18-12(9)13)19(16,17)15(2)8-10-4-3-5-14-7-10/h6,10,14H,3-5,7-8H2,1-2H3
InChIKeyQERDPMVKWMRARU-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.33
Rot. Bonds4

About 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide

5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106630812) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID106630812
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCNC2)sc1Cl
InChIInChI=1S/C12H19ClN2O2S2/c1-9-6-11(18-12(9)13)19(16,17)15(2)8-10-4-3-5-14-7-10/h6,10,14H,3-5,7-8H2,1-2H3
InChIKeyQERDPMVKWMRARU-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467
5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106608726
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100750
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 120721094
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762
2,6-difluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide (CID 106630812) is 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CCCNC2)sc1Cl.
What is the InChIKey of 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is QERDPMVKWMRARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-9-6-11(18-12(9)13)19(16,17)15(2)8-10-4-3-5-14-7-10/h6,10,14H,3-5,7-8H2,1-2H3.
What are the key properties of 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 322.88 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106630812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).