N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide

C7H14N2O2S — CID 176992458

IUPACN-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
SMILESCC(CS)C(=O)NC(C)C(N)=O
InChIInChI=1S/C7H14N2O2S/c1-4(3-12)7(11)9-5(2)6(8)10/h4-5,12H,3H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyFCWPLKPBVGACPV-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.46
Rot. Bonds4

About N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide

N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide (PubChem CID 176992458) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
PubChem CID176992458
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
SMILESCC(CS)C(=O)NC(C)C(N)=O
InChIInChI=1S/C7H14N2O2S/c1-4(3-12)7(11)9-5(2)6(8)10/h4-5,12H,3H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyFCWPLKPBVGACPV-UHFFFAOYSA-N
XLogP-0.46
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide
CID 88891450
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
(2S)-2-methyl-6-[(2-methyl-3-sulfanylpropanoyl)amino]hexanamide
CID 90324114
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
(2R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-2-methyl-3-(2-oxopropylsulfanyl)propanamide
CID 168915519
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
3-[(1-amino-1-oxopropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114896888
2-(2-methoxypropanoylamino)propanamide
CID 115588153
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide
CID 126634892
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide
CID 134350217

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide (CID 176992458) is N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide is CC(CS)C(=O)NC(C)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide?
The InChIKey is FCWPLKPBVGACPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-4(3-12)7(11)9-5(2)6(8)10/h4-5,12H,3H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide?
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide has a molecular weight of 190.27 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 176992458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).