2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide

C10H22N2OS — CID 106275046

IUPAC2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
SMILESCSCCCCNCC(C)(C)C(N)=O
InChIInChI=1S/C10H22N2OS/c1-10(2,9(11)13)8-12-6-4-5-7-14-3/h12H,4-8H2,1-3H3,(H2,11,13)
InChIKeyVHHCKMIXWYDDJN-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.23
Rot. Bonds8

About 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide

2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide (PubChem CID 106275046) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
PubChem CID106275046
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
SMILESCSCCCCNCC(C)(C)C(N)=O
InChIInChI=1S/C10H22N2OS/c1-10(2,9(11)13)8-12-6-4-5-7-14-3/h12H,4-8H2,1-3H3,(H2,11,13)
InChIKeyVHHCKMIXWYDDJN-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dimethyl-3-(3-methylsulfanylpropylamino)propanoate
CID 79623355
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
CID 106276316
2,2-dimethyl-3-(4-methylpentylamino)propanamide
CID 102672838
2-(4-methylsulfanylbutylamino)ethylurea
CID 103088336
3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
2-methyl-2-(3-methylsulfanylpropylamino)propanamide
CID 61218812
2,2-dimethyl-3-methylsulfanylpropanamide
CID 89453216
ethyl 2-[2-(4-methylsulfanylbutylamino)ethoxy]acetate
CID 103264028
tert-butyl 3-(4-methylsulfanylbutylamino)propanoate
CID 103264069
ethyl 6-(5-methylsulfanylpentylamino)hexanoate
CID 114127320
ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
CID 106276054
tert-butyl N-[3-(5-methylsulfanylpentylamino)propyl]carbamate
CID 107095523

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide (CID 106275046) is 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide is CSCCCCNCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide?
The InChIKey is VHHCKMIXWYDDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-10(2,9(11)13)8-12-6-4-5-7-14-3/h12H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide?
2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide has a molecular weight of 218.37 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide is sourced from PubChem (CID 106275046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).