S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate

C6H12N2O3S — CID 88910601

IUPACS-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate
SMILESCSC(=O)NNC(=O)[C@H](C)CO
InChIInChI=1S/C6H12N2O3S/c1-4(3-9)5(10)7-8-6(11)12-2/h4,9H,3H2,1-2H3,(H,7,10)(H,8,11)/t4-/m1/s1
InChIKeyXZOVUYZZZVKTES-SCSAIBSYSA-N
MW192.24 g/mol
LogP-0.28
Rot. Bonds2

About S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate

S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate (PubChem CID 88910601) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate.

Molecular Properties

Compound NameS-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate
PubChem CID88910601
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameS-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate
SMILESCSC(=O)NNC(=O)[C@H](C)CO
InChIInChI=1S/C6H12N2O3S/c1-4(3-9)5(10)7-8-6(11)12-2/h4,9H,3H2,1-2H3,(H,7,10)(H,8,11)/t4-/m1/s1
InChIKeyXZOVUYZZZVKTES-SCSAIBSYSA-N
XLogP-0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-methyl N-[[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoyl]amino]carbamothioate
CID 88910598
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
(2S)-2-acetamido-N-[(2S)-3-hydroxy-1-[[(2R)-4-methylsulfanylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 164780063
5-hydroxy-N,2,4-trimethylpentanamide
CID 157214325
S-methyl N-[(2R)-1-bromopropan-2-yl]carbamothioate
CID 40543819
2-[[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18218474
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
2-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]propanoylamino]-3-hydroxypropanoic acid
CID 5070257
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 18232510
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 18743492

Frequently Asked Questions

What is the IUPAC name of S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate?
The IUPAC name of S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate (CID 88910601) is S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate.
What is the SMILES notation for S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate?
The canonical SMILES for S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate is CSC(=O)NNC(=O)[C@H](C)CO.
What is the InChIKey of S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate?
The InChIKey is XZOVUYZZZVKTES-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-4(3-9)5(10)7-8-6(11)12-2/h4,9H,3H2,1-2H3,(H,7,10)(H,8,11)/t4-/m1/s1.
What are the key properties of S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate?
S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate has a molecular weight of 192.24 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl N-[[(2R)-3-hydroxy-2-methylpropanoyl]amino]carbamothioate is sourced from PubChem (CID 88910601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).