5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide

C14H23ClN2O2S2 — CID 106630961

IUPAC5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC2CCCNC2)C(C)C)sc1Cl
InChIInChI=1S/C14H23ClN2O2S2/c1-10(2)17(9-12-5-4-6-16-8-12)21(18,19)13-7-11(3)14(15)20-13/h7,10,12,16H,4-6,8-9H2,1-3H3
InChIKeyVNCPJLPWUWVPGB-UHFFFAOYSA-N
MW350.94 g/mol
LogP3.11
Rot. Bonds5

About 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide

5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 106630961) has the molecular formula C14H23ClN2O2S2 and a molecular weight of 350.94 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID106630961
Molecular FormulaC14H23ClN2O2S2
Molecular Weight350.94 g/mol
Exact Mass350.09
IUPAC Name5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC2CCCNC2)C(C)C)sc1Cl
InChIInChI=1S/C14H23ClN2O2S2/c1-10(2)17(9-12-5-4-6-16-8-12)21(18,19)13-7-11(3)14(15)20-13/h7,10,12,16H,4-6,8-9H2,1-3H3
InChIKeyVNCPJLPWUWVPGB-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.94
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
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
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630942
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106608726
5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106607862
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide (CID 106630961) is 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(CC2CCCNC2)C(C)C)sc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is VNCPJLPWUWVPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S2/c1-10(2)17(9-12-5-4-6-16-8-12)21(18,19)13-7-11(3)14(15)20-13/h7,10,12,16H,4-6,8-9H2,1-3H3.
What are the key properties of 5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide?
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 350.94 g/mol, XLogP of 3.11, 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-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106630961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).