N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide

C7H15N3O2S — CID 13059392

IUPACN-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
SMILESCSC[C@H](NC(C)=O)C(=O)N(C)N
InChIInChI=1S/C7H15N3O2S/c1-5(11)9-6(4-13-3)7(12)10(2)8/h6H,4,8H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyYFKCGSANEAKIHI-LURJTMIESA-N
MW205.28 g/mol
LogP-0.81
Rot. Bonds4

About N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide

N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide (PubChem CID 13059392) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
PubChem CID13059392
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC NameN-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
SMILESCSC[C@H](NC(C)=O)C(=O)N(C)N
InChIInChI=1S/C7H15N3O2S/c1-5(11)9-6(4-13-3)7(12)10(2)8/h6H,4,8H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyYFKCGSANEAKIHI-LURJTMIESA-N
XLogP-0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide 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 N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide (CID 13059392) is N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide is CSC[C@H](NC(C)=O)C(=O)N(C)N.
What is the InChIKey of N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The InChIKey is YFKCGSANEAKIHI-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-5(11)9-6(4-13-3)7(12)10(2)8/h6H,4,8H2,1-3H3,(H,9,11)/t6-/m0/s1.
What are the key properties of N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide has a molecular weight of 205.28 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[amino(methyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 13059392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).