2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide

C7H16N2OS — CID 115734652

IUPAC2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide
SMILESCSCC(C)NC(=O)C(C)N
InChIInChI=1S/C7H16N2OS/c1-5(4-11-3)9-7(10)6(2)8/h5-6H,4,8H2,1-3H3,(H,9,10)
InChIKeyVCIAQGSJCLABBW-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide

2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide (PubChem CID 115734652) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide
PubChem CID115734652
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide
SMILESCSCC(C)NC(=O)C(C)N
InChIInChI=1S/C7H16N2OS/c1-5(4-11-3)9-7(10)6(2)8/h5-6H,4,8H2,1-3H3,(H,9,10)
InChIKeyVCIAQGSJCLABBW-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740467
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
(2S)-2-amino-N-(5-methylhexan-2-yl)propanamide
CID 61146482
(2S)-2-amino-3-methyl-N-[2-(1-methylsulfanylpropan-2-ylamino)-2-oxoethyl]butanamide
CID 103885028
3,3-dimethyl-2-(1-methylsulfanylpropan-2-ylcarbamoyl)butanoic acid
CID 116537490
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
CID 62093737
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
CID 111435312
(2R)-2-amino-N-(1-ethoxypropan-2-yl)propanamide
CID 78977149
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide?
The IUPAC name of 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide (CID 115734652) is 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide.
What is the SMILES notation for 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide?
The canonical SMILES for 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide is CSCC(C)NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide?
The InChIKey is VCIAQGSJCLABBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-5(4-11-3)9-7(10)6(2)8/h5-6H,4,8H2,1-3H3,(H,9,10).
What are the key properties of 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide?
2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide has a molecular weight of 176.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide is sourced from PubChem (CID 115734652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).