(3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide

C12H20N6O4S — CID 95141524

IUPAC(3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cnn(CC(N)=O)c2)C1
InChIInChI=1S/C12H20N6O4S/c1-23(21,22)16-9-3-2-4-17(6-9)12(20)15-10-5-14-18(7-10)8-11(13)19/h5,7,9,16H,2-4,6,8H2,1H3,(H2,13,19)(H,15,20)/t9-/m1/s1
InChIKeyOJOGAFIIFGISPC-SECBINFHSA-N
MW344.40 g/mol
LogP-1.09
Rot. Bonds5

About (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide

(3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 95141524) has the molecular formula C12H20N6O4S and a molecular weight of 344.40 g/mol. Its IUPAC name is (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID95141524
Molecular FormulaC12H20N6O4S
Molecular Weight344.40 g/mol
Exact Mass344.13
IUPAC Name(3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cnn(CC(N)=O)c2)C1
InChIInChI=1S/C12H20N6O4S/c1-23(21,22)16-9-3-2-4-17(6-9)12(20)15-10-5-14-18(7-10)8-11(13)19/h5,7,9,16H,2-4,6,8H2,1H3,(H2,13,19)(H,15,20)/t9-/m1/s1
InChIKeyOJOGAFIIFGISPC-SECBINFHSA-N
XLogP-1.09
TPSA139.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275
3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 47038794
2-[4-[(1-acetylpiperidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 43783533
2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95151795
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131115
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 95134155
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131116
ethyl 1-[3-[[3-(methanesulfonamido)piperidine-1-carbonyl]amino]phenyl]-5-methylpyrazole-4-carboxylate
CID 47042002
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide (CID 95141524) is (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide is CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cnn(CC(N)=O)c2)C1.
What is the InChIKey of (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is OJOGAFIIFGISPC-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N6O4S/c1-23(21,22)16-9-3-2-4-17(6-9)12(20)15-10-5-14-18(7-10)8-11(13)19/h5,7,9,16H,2-4,6,8H2,1H3,(H2,13,19)(H,15,20)/t9-/m1/s1.
What are the key properties of (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
(3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide has a molecular weight of 344.40 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 95141524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).