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

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Related Compounds

N-[1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63854706
N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
CID 103413649
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63853142
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803113
N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63852610
N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803111
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879120

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).