(2R)-2-(methylamino)-3-sulfanylpropanamide

C4H10N2OS — CID 657116

IUPAC(2R)-2-(methylamino)-3-sulfanylpropanamide
SMILESCN[C@@H](CS)C(N)=O
InChIInChI=1S/C4H10N2OS/c1-6-3(2-8)4(5)7/h3,6,8H,2H2,1H3,(H2,5,7)/t3-/m0/s1
InChIKeyGTMBDIOOVYJJQI-VKHMYHEASA-N
MW134.20 g/mol
LogP-1.01
Rot. Bonds3

About (2R)-2-(methylamino)-3-sulfanylpropanamide

(2R)-2-(methylamino)-3-sulfanylpropanamide (PubChem CID 657116) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is (2R)-2-(methylamino)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-(methylamino)-3-sulfanylpropanamide
PubChem CID657116
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name(2R)-2-(methylamino)-3-sulfanylpropanamide
SMILESCN[C@@H](CS)C(N)=O
InChIInChI=1S/C4H10N2OS/c1-6-3(2-8)4(5)7/h3,6,8H,2H2,1H3,(H2,5,7)/t3-/m0/s1
InChIKeyGTMBDIOOVYJJQI-VKHMYHEASA-N
XLogP-1.01
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-(methylamino)-3-sulfanylpropanamide (CID 657116) is (2R)-2-(methylamino)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-(methylamino)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-(methylamino)-3-sulfanylpropanamide is CN[C@@H](CS)C(N)=O.
What is the InChIKey of (2R)-2-(methylamino)-3-sulfanylpropanamide?
The InChIKey is GTMBDIOOVYJJQI-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2OS/c1-6-3(2-8)4(5)7/h3,6,8H,2H2,1H3,(H2,5,7)/t3-/m0/s1.
What are the key properties of (2R)-2-(methylamino)-3-sulfanylpropanamide?
(2R)-2-(methylamino)-3-sulfanylpropanamide has a molecular weight of 134.20 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-3-sulfanylpropanamide is sourced from PubChem (CID 657116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).