2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide

C15H26N2O2S2 — CID 90522711

IUPAC2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C15H26N2O2S2/c1-13(2)12-21(18,19)16-7-10-17-8-5-14(6-9-17)15-4-3-11-20-15/h3-4,11,13-14,16H,5-10,12H2,1-2H3
InChIKeyCCGLKYADHALFHS-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.50
Rot. Bonds7

About 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide

2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 90522711) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide
PubChem CID90522711
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C15H26N2O2S2/c1-13(2)12-21(18,19)16-7-10-17-8-5-14(6-9-17)15-4-3-11-20-15/h3-4,11,13-14,16H,5-10,12H2,1-2H3
InChIKeyCCGLKYADHALFHS-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide (CID 90522711) is 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide is CC(C)CS(=O)(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is CCGLKYADHALFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-13(2)12-21(18,19)16-7-10-17-8-5-14(6-9-17)15-4-3-11-20-15/h3-4,11,13-14,16H,5-10,12H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide?
2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 90522711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).