N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine

C15H26N2O2S2 — CID 63855058

IUPACN-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C15H26N2O2S2/c1-4-9-16-13(3)14-6-5-10-17(11-14)21(18,19)15-8-7-12(2)20-15/h7-8,13-14,16H,4-6,9-11H2,1-3H3
InChIKeyLMNSJXOQNHHOPJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.85
Rot. Bonds6

About N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine (PubChem CID 63855058) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
PubChem CID63855058
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C15H26N2O2S2/c1-4-9-16-13(3)14-6-5-10-17(11-14)21(18,19)15-8-7-12(2)20-15/h7-8,13-14,16H,4-6,9-11H2,1-3H3
InChIKeyLMNSJXOQNHHOPJ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine 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-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine (CID 63855058) is N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is LMNSJXOQNHHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-9-16-13(3)14-6-5-10-17(11-14)21(18,19)15-8-7-12(2)20-15/h7-8,13-14,16H,4-6,9-11H2,1-3H3.
What are the key properties of N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63855058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).