2-amino-3-methyl-N-methylsulfanylbutanamide

C6H14N2OS — CID 166777810

IUPAC2-amino-3-methyl-N-methylsulfanylbutanamide
SMILESCSNC(=O)C(N)C(C)C
InChIInChI=1S/C6H14N2OS/c1-4(2)5(7)6(9)8-10-3/h4-5H,7H2,1-3H3,(H,8,9)
InChIKeySQPTZOMNNNDLAW-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.36
Rot. Bonds3

About 2-amino-3-methyl-N-methylsulfanylbutanamide

2-amino-3-methyl-N-methylsulfanylbutanamide (PubChem CID 166777810) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-amino-3-methyl-N-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-methylsulfanylbutanamide
PubChem CID166777810
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-amino-3-methyl-N-methylsulfanylbutanamide
SMILESCSNC(=O)C(N)C(C)C
InChIInChI=1S/C6H14N2OS/c1-4(2)5(7)6(9)8-10-3/h4-5H,7H2,1-3H3,(H,8,9)
InChIKeySQPTZOMNNNDLAW-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
CID 104921675
2-amino-N-formyl-3-methylbutanamide
CID 22035229
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 73351643
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
CID 103797840
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
4-amino-5-(methylsulfanylamino)-5-oxopentanoic acid
CID 123930229
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-methylsulfanylbutanamide?
The IUPAC name of 2-amino-3-methyl-N-methylsulfanylbutanamide (CID 166777810) is 2-amino-3-methyl-N-methylsulfanylbutanamide.
What is the SMILES notation for 2-amino-3-methyl-N-methylsulfanylbutanamide?
The canonical SMILES for 2-amino-3-methyl-N-methylsulfanylbutanamide is CSNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-methylsulfanylbutanamide?
The InChIKey is SQPTZOMNNNDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-4(2)5(7)6(9)8-10-3/h4-5H,7H2,1-3H3,(H,8,9).
What are the key properties of 2-amino-3-methyl-N-methylsulfanylbutanamide?
2-amino-3-methyl-N-methylsulfanylbutanamide has a molecular weight of 162.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-methylsulfanylbutanamide is sourced from PubChem (CID 166777810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).