2,2-dimethyl-3-methylsulfanylpropanamide

C6H13NOS — CID 89453216

IUPAC2,2-dimethyl-3-methylsulfanylpropanamide
SMILESCSCC(C)(C)C(N)=O
InChIInChI=1S/C6H13NOS/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKeyQYRVZFPLZCYQRB-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.86
Rot. Bonds3

About 2,2-dimethyl-3-methylsulfanylpropanamide

2,2-dimethyl-3-methylsulfanylpropanamide (PubChem CID 89453216) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-methylsulfanylpropanamide
PubChem CID89453216
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2,2-dimethyl-3-methylsulfanylpropanamide
SMILESCSCC(C)(C)C(N)=O
InChIInChI=1S/C6H13NOS/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKeyQYRVZFPLZCYQRB-UHFFFAOYSA-N
XLogP0.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
CID 106275046
3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide
CID 88553400
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
4-amino-2,2-dimethylbutanamide
CID 23366310
ethane;2,2,5,5-tetramethylhexanamide
CID 178049677
3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
CID 106276316
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
2-methyl-2-methylsulfanylpropanamide
CID 21150551
methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
CID 45086744
(3-amino-2,2-dimethyl-3-oxopropyl) benzenecarbodithioate
CID 87669715
6-hydroxy-2,2-dimethylhexanamide
CID 21402976

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylsulfanylpropanamide?
The IUPAC name of 2,2-dimethyl-3-methylsulfanylpropanamide (CID 89453216) is 2,2-dimethyl-3-methylsulfanylpropanamide.
What is the SMILES notation for 2,2-dimethyl-3-methylsulfanylpropanamide?
The canonical SMILES for 2,2-dimethyl-3-methylsulfanylpropanamide is CSCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-methylsulfanylpropanamide?
The InChIKey is QYRVZFPLZCYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H2,7,8).
What are the key properties of 2,2-dimethyl-3-methylsulfanylpropanamide?
2,2-dimethyl-3-methylsulfanylpropanamide has a molecular weight of 147.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 89453216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).