(2R)-2-amino-3-methylbutanethioamide

C5H12N2S — CID 95241232

IUPAC(2R)-2-amino-3-methylbutanethioamide
SMILESCC(C)[C@@H](N)C(N)=S
InChIInChI=1S/C5H12N2S/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m1/s1
InChIKeyLEHCWSCJPWLNLB-SCSAIBSYSA-N
MW132.23 g/mol
LogP0.26
Rot. Bonds2

About (2R)-2-amino-3-methylbutanethioamide

(2R)-2-amino-3-methylbutanethioamide (PubChem CID 95241232) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is (2R)-2-amino-3-methylbutanethioamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methylbutanethioamide
PubChem CID95241232
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name(2R)-2-amino-3-methylbutanethioamide
SMILESCC(C)[C@@H](N)C(N)=S
InChIInChI=1S/C5H12N2S/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m1/s1
InChIKeyLEHCWSCJPWLNLB-SCSAIBSYSA-N
XLogP0.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-aminopropanethioamide
CID 55285662
2-methylpropanethioamide;hydrochloride
CID 87468880
iodo 2-amino-3-methylbutanoate
CID 76549706
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
carbamodithioic acid;propan-2-ol
CID 71434937
(3R)-but-1-ene-2,3-diamine
CID 142167658
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methyl-1-pyrrolidin-1-ylbutane-1-thione;hydrochloride
CID 56845381
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoate
CID 5460778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methylbutanethioamide?
The IUPAC name of (2R)-2-amino-3-methylbutanethioamide (CID 95241232) is (2R)-2-amino-3-methylbutanethioamide.
What is the SMILES notation for (2R)-2-amino-3-methylbutanethioamide?
The canonical SMILES for (2R)-2-amino-3-methylbutanethioamide is CC(C)[C@@H](N)C(N)=S.
What is the InChIKey of (2R)-2-amino-3-methylbutanethioamide?
The InChIKey is LEHCWSCJPWLNLB-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-3-methylbutanethioamide?
(2R)-2-amino-3-methylbutanethioamide has a molecular weight of 132.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylbutanethioamide is sourced from PubChem (CID 95241232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).