(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide

C14H24N4O3S — CID 164631667

IUPAC(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2cn[nH]c2C)C1
InChIInChI=1S/C14H24N4O3S/c1-4-22(20,21)18-7-5-6-12(10-18)14(19)17(3)9-13-8-15-16-11(13)2/h8,12H,4-7,9-10H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeySNUAYAKCLHROAN-LBPRGKRZSA-N
MW328.44 g/mol
LogP0.74
Rot. Bonds5

About (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide

(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 164631667) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID164631667
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2cn[nH]c2C)C1
InChIInChI=1S/C14H24N4O3S/c1-4-22(20,21)18-7-5-6-12(10-18)14(19)17(3)9-13-8-15-16-11(13)2/h8,12H,4-7,9-10H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeySNUAYAKCLHROAN-LBPRGKRZSA-N
XLogP0.74
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 146084818
[1-Methyl-4-[(2-oxopiperidin-1-yl)methyl]pyrazol-5-yl]methanesulfonamide
CID 117800318
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)-3-piperidinecarboxamide
CID 19583491
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 19583498
N~3~-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-1-(methylsulfonyl)-3-piperidinecarboxamide
CID 19583512
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 19583548
(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 40446116
(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 40446117
(3S)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 40446122
(3S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 40446176
(3R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 40625253

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 164631667) is (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2cn[nH]c2C)C1.
What is the InChIKey of (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is SNUAYAKCLHROAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-4-22(20,21)18-7-5-6-12(10-18)14(19)17(3)9-13-8-15-16-11(13)2/h8,12H,4-7,9-10H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide?
(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 164631667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).