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

C9H16N4OS — CID 61283732

IUPAC(2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCSCC[C@H](N)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H16N4OS/c1-15-5-3-8(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)/t8-/m0/s1
InChIKeyGIQSKHJGKMQZMM-QMMMGPOBSA-N
MW228.32 g/mol
LogP0.11
Rot. Bonds6

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

(2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide (PubChem CID 61283732) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide
PubChem CID61283732
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCSCC[C@H](N)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H16N4OS/c1-15-5-3-8(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)/t8-/m0/s1
InChIKeyGIQSKHJGKMQZMM-QMMMGPOBSA-N
XLogP0.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127026695
N'-cyclopentyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)succinamide
CID 46985825
N~2~-acetyl-N~1~-methyl-N~1~-(1H-pyrazol-3-ylmethyl)norvalinamide
CID 86287249
N~1~-methyl-N~3~-(methylsulfonyl)-N~1~-(1H-pyrazol-3-ylmethyl)-beta-alaninamide
CID 90647637
N-methyl-N-(1H-pyrazol-3-ylmethyl)-2-pyrrolidin-1-ylbutanamide
CID 90651113
(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide
CID 124751548
(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 126423142
(2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 164641980
N-[(4-methyl-1,3-thiazolidin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 138857449
Pyrazolyl-4-thiazolidinone
CID 129833013
4,4,4-trifluoro-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 65711766
N-(1H-pyrazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide (CID 61283732) is (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide is CSCC[C@H](N)C(=O)NCc1ccn[nH]1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The InChIKey is GIQSKHJGKMQZMM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-15-5-3-8(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)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
(2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide has a molecular weight of 228.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 61283732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).