3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide

C9H20N2OS — CID 112658917

IUPAC3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
SMILESCSCCN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C9H20N2OS/c1-9(2,10)7-8(12)11(3)5-6-13-4/h5-7,10H2,1-4H3
InChIKeyKRQOIAVDSTVBER-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.94
Rot. Bonds5

About 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide

3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide (PubChem CID 112658917) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
PubChem CID112658917
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
SMILESCSCCN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C9H20N2OS/c1-9(2,10)7-8(12)11(3)5-6-13-4/h5-7,10H2,1-4H3
InChIKeyKRQOIAVDSTVBER-UHFFFAOYSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
CID 114329068
2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate
CID 112698304
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 112666850
N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
CID 112697996
2-tert-butyl-1-methyl-1-(2-methylsulfanylethyl)guanidine
CID 112660655
3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155110
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide (CID 112658917) is 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide is CSCCN(C)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide?
The InChIKey is KRQOIAVDSTVBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-9(2,10)7-8(12)11(3)5-6-13-4/h5-7,10H2,1-4H3.
What are the key properties of 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide?
3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide has a molecular weight of 204.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide is sourced from PubChem (CID 112658917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).