2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone

C12H20N4O3S — CID 124995648

IUPAC2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C12H20N4O3S/c1-20(18,19)11-7-14-15-10(11)5-9-3-2-4-16(8-9)12(17)6-13/h7,9H,2-6,8,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyQNOYYKSMFIUIQE-SECBINFHSA-N
MW300.38 g/mol
LogP-0.45
Rot. Bonds4

About 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone

2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 124995648) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
PubChem CID124995648
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C12H20N4O3S/c1-20(18,19)11-7-14-15-10(11)5-9-3-2-4-16(8-9)12(17)6-13/h7,9H,2-6,8,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyQNOYYKSMFIUIQE-SECBINFHSA-N
XLogP-0.45
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

(3S)-N,N-dimethyl-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine-1-sulfonamide
CID 124976343
[3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 110149534
2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
(3R)-1-[(4-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124945183
4-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124981670
4-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]pyrimidine
CID 125021083
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124980427
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 124986594
2-[[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyrazine
CID 125017567
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124942284
(3R)-1-[(1-methylpyrrol-2-yl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 125022959
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidine
CID 125007759

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone (CID 124995648) is 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone is CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is QNOYYKSMFIUIQE-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-20(18,19)11-7-14-15-10(11)5-9-3-2-4-16(8-9)12(17)6-13/h7,9H,2-6,8,13H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone?
2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 300.38 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124995648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).