(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide

C9H17N3O2S — CID 170413285

IUPAC(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide
SMILESC=C(N)CNC(=O)[C@@H](C)CSCC(N)=O
InChIInChI=1S/C9H17N3O2S/c1-6(4-15-5-8(11)13)9(14)12-3-7(2)10/h6H,2-5,10H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1
InChIKeyTZXRSESFODTMCM-LURJTMIESA-N
MW231.32 g/mol
LogP-0.57
Rot. Bonds7

About (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide

(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide (PubChem CID 170413285) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide
PubChem CID170413285
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide
SMILESC=C(N)CNC(=O)[C@@H](C)CSCC(N)=O
InChIInChI=1S/C9H17N3O2S/c1-6(4-15-5-8(11)13)9(14)12-3-7(2)10/h6H,2-5,10H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1
InChIKeyTZXRSESFODTMCM-LURJTMIESA-N
XLogP-0.57
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide?
The IUPAC name of (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide (CID 170413285) is (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide.
What is the SMILES notation for (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide?
The canonical SMILES for (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide is C=C(N)CNC(=O)[C@@H](C)CSCC(N)=O.
What is the InChIKey of (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide?
The InChIKey is TZXRSESFODTMCM-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-6(4-15-5-8(11)13)9(14)12-3-7(2)10/h6H,2-5,10H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1.
What are the key properties of (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide?
(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide has a molecular weight of 231.32 g/mol, XLogP of -0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide is sourced from PubChem (CID 170413285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).