N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

C13H22N2O2S2 — CID 16887511

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H22N2O2S2/c1-11(2)15-7-5-12(6-8-15)10-14-19(16,17)13-4-3-9-18-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyTXBKNGJBQNWLFL-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.15
Rot. Bonds5

About N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 16887511) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID16887511
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H22N2O2S2/c1-11(2)15-7-5-12(6-8-15)10-14-19(16,17)13-4-3-9-18-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyTXBKNGJBQNWLFL-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (CID 16887511) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is TXBKNGJBQNWLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-11(2)15-7-5-12(6-8-15)10-14-19(16,17)13-4-3-9-18-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 302.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16887511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).