2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide

C15H26N2O2S2 — CID 106630934

IUPAC2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC2CCCNC2)C(C)C)c(C)s1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)17(10-14-6-5-7-16-9-14)21(18,19)15-8-12(3)20-13(15)4/h8,11,14,16H,5-7,9-10H2,1-4H3
InChIKeyPNVFJYPJQLQSLK-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.76
Rot. Bonds5

About 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide

2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide (PubChem CID 106630934) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
PubChem CID106630934
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC2CCCNC2)C(C)C)c(C)s1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)17(10-14-6-5-7-16-9-14)21(18,19)15-8-12(3)20-13(15)4/h8,11,14,16H,5-7,9-10H2,1-4H3
InChIKeyPNVFJYPJQLQSLK-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630942
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 107173135
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 106630977
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 106630912
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
CID 79701384
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide (CID 106630934) is 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(CC2CCCNC2)C(C)C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The InChIKey is PNVFJYPJQLQSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(2)17(10-14-6-5-7-16-9-14)21(18,19)15-8-12(3)20-13(15)4/h8,11,14,16H,5-7,9-10H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide?
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 106630934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).