2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide

C9H16N4O3S — CID 61284119

IUPAC2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)5-3-8(10)9(14)11-6-7-2-4-12-13-7/h2,4,8H,3,5-6,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyJMKYOINWUVUJIF-UHFFFAOYSA-N
MW260.32 g/mol
LogP-1.21
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide

2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide (PubChem CID 61284119) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
PubChem CID61284119
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)5-3-8(10)9(14)11-6-7-2-4-12-13-7/h2,4,8H,3,5-6,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyJMKYOINWUVUJIF-UHFFFAOYSA-N
XLogP-1.21
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
CID 61285108
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
CID 82881520
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 60975273
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480
[4-[[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]methyl]phenyl]carbamic acid
CID 146417937
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 104910842
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide (CID 61284119) is 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide is CS(=O)(=O)CCC(N)C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The InChIKey is JMKYOINWUVUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-17(15,16)5-3-8(10)9(14)11-6-7-2-4-12-13-7/h2,4,8H,3,5-6,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide has a molecular weight of 260.32 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 61284119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).