2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone

C12H18N2OS — CID 71641577

IUPAC2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone
SMILESCN(CC(=O)c1cccs1)[C@H]1CCCNC1
InChIInChI=1S/C12H18N2OS/c1-14(10-4-2-6-13-8-10)9-11(15)12-5-3-7-16-12/h3,5,7,10,13H,2,4,6,8-9H2,1H3/t10-/m0/s1
InChIKeyGUEJWYDKTNEQFA-JTQLQIEISA-N
MW238.36 g/mol
LogP1.61
Rot. Bonds4

About 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone

2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone (PubChem CID 71641577) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone
PubChem CID71641577
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone
SMILESCN(CC(=O)c1cccs1)[C@H]1CCCNC1
InChIInChI=1S/C12H18N2OS/c1-14(10-4-2-6-13-8-10)9-11(15)12-5-3-7-16-12/h3,5,7,10,13H,2,4,6,8-9H2,1H3/t10-/m0/s1
InChIKeyGUEJWYDKTNEQFA-JTQLQIEISA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(piperidin-4-yl)amino]-1-thiophen-2-ylethanone
CID 62030561
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71641614
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993
2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 102864515
N-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71641141
N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
CID 119557038
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
N-methyl-N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71640930

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone (CID 71641577) is 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone is CN(CC(=O)c1cccs1)[C@H]1CCCNC1.
What is the InChIKey of 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone?
The InChIKey is GUEJWYDKTNEQFA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14(10-4-2-6-13-8-10)9-11(15)12-5-3-7-16-12/h3,5,7,10,13H,2,4,6,8-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone?
2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone has a molecular weight of 238.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 71641577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).