N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide

C12H20N4O3S — CID 92634332

IUPACN-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccn[nH]1
InChIInChI=1S/C12H20N4O3S/c1-20(18,19)14-8-5-10-4-2-3-9-16(10)12(17)11-6-7-13-15-11/h6-7,10,14H,2-5,8-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyKMLDJLCOZNNADF-JTQLQIEISA-N
MW300.38 g/mol
LogP0.34
Rot. Bonds5

About N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 92634332) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID92634332
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccn[nH]1
InChIInChI=1S/C12H20N4O3S/c1-20(18,19)14-8-5-10-4-2-3-9-16(10)12(17)11-6-7-13-15-11/h6-7,10,14H,2-5,8-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyKMLDJLCOZNNADF-JTQLQIEISA-N
XLogP0.34
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79538087
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 127245086
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92632029
N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 120622886
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009534
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 87047179
2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 47066287
(2S)-2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 94677155
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide (CID 92634332) is N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is KMLDJLCOZNNADF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-20(18,19)14-8-5-10-4-2-3-9-16(10)12(17)11-6-7-13-15-11/h6-7,10,14H,2-5,8-9H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 92634332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).