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

C15H26N2O2S2 — CID 79701384

IUPAC2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C15H26N2O2S2/c1-4-9-17(11-14-5-7-16-8-6-14)21(18,19)15-10-12(2)20-13(15)3/h10,14,16H,4-9,11H2,1-3H3
InChIKeyWBDIASQUPHNWQG-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.77
Rot. Bonds6

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

2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide (PubChem CID 79701384) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
PubChem CID79701384
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C15H26N2O2S2/c1-4-9-17(11-14-5-7-16-8-6-14)21(18,19)15-10-12(2)20-13(15)3/h10,14,16H,4-9,11H2,1-3H3
InChIKeyWBDIASQUPHNWQG-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide
CID 79703113
N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 107173135
2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
CID 79716659
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
4-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 114811132
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
N-(azetidin-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 66181491
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 60531054

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide (CID 79701384) is 2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide is CCCN(CC1CCNCC1)S(=O)(=O)c1cc(C)sc1C.
What is the InChIKey of 2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide?
The InChIKey is WBDIASQUPHNWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-9-17(11-14-5-7-16-8-6-14)21(18,19)15-10-12(2)20-13(15)3/h10,14,16H,4-9,11H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide?
2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.77, 6 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-4-ylmethyl)-N-propylthiophene-3-sulfonamide is sourced from PubChem (CID 79701384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).