2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide

C9H20N2OS — CID 129075178

IUPAC2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide
SMILESCSN(C)C(=O)C(N)CC(C)(C)C
InChIInChI=1S/C9H20N2OS/c1-9(2,3)6-7(10)8(12)11(4)13-5/h7H,6,10H2,1-5H3
InChIKeyYBVYFORTERWFLC-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide

2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide (PubChem CID 129075178) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide.

Molecular Properties

Compound Name2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide
PubChem CID129075178
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide
SMILESCSN(C)C(=O)C(N)CC(C)(C)C
InChIInChI=1S/C9H20N2OS/c1-9(2,3)6-7(10)8(12)11(4)13-5/h7H,6,10H2,1-5H3
InChIKeyYBVYFORTERWFLC-UHFFFAOYSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
(2S)-2-amino-4,4-dimethylpentanoate
CID 149433644
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
2-amino-N,N-dimethylbutanamide
CID 43649466
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79377752
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541
2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
CID 126606226
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide
CID 174169742
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide?
The IUPAC name of 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide (CID 129075178) is 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide.
What is the SMILES notation for 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide?
The canonical SMILES for 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide is CSN(C)C(=O)C(N)CC(C)(C)C.
What is the InChIKey of 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide?
The InChIKey is YBVYFORTERWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-9(2,3)6-7(10)8(12)11(4)13-5/h7H,6,10H2,1-5H3.
What are the key properties of 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide?
2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide has a molecular weight of 204.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4,4-trimethyl-N-methylsulfanylpentanamide is sourced from PubChem (CID 129075178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).