(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide

C14H22N4O3S — CID 129446113

IUPAC(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2nccn2C1
InChIInChI=1S/C14H22N4O3S/c1-22(20,21)18-8-3-2-4-12(18)14(19)16-11-5-6-13-15-7-9-17(13)10-11/h7,9,11-12H,2-6,8,10H2,1H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyLQLXDQDABAKVSY-RYUDHWBXSA-N
MW326.42 g/mol
LogP0.13
Rot. Bonds3

About (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide

(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide (PubChem CID 129446113) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
PubChem CID129446113
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2nccn2C1
InChIInChI=1S/C14H22N4O3S/c1-22(20,21)18-8-3-2-4-12(18)14(19)16-11-5-6-13-15-7-9-17(13)10-11/h7,9,11-12H,2-6,8,10H2,1H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyLQLXDQDABAKVSY-RYUDHWBXSA-N
XLogP0.13
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95138552
(2R)-1-ethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 129461126
(2S)-1-acetyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95145770
(2R)-1-(pyridin-4-ylmethyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 95760097
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 154775634
(2S)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95765536
(3S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739299
(3R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739298
(3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95137041
(3R)-1-(2-methylpropyl)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95137037
(3S)-2-acetyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95766903

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide (CID 129446113) is (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide is CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2nccn2C1.
What is the InChIKey of (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide?
The InChIKey is LQLXDQDABAKVSY-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-22(20,21)18-8-3-2-4-12(18)14(19)16-11-5-6-13-15-7-9-17(13)10-11/h7,9,11-12H,2-6,8,10H2,1H3,(H,16,19)/t11-,12-/m0/s1.
What are the key properties of (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide?
(2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylsulfonyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide is sourced from PubChem (CID 129446113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).