2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide

C10H21NOS — CID 89041638

IUPAC2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide
SMILESCCC(C)(CS)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NOS/c1-6-10(5,7-13)11-8(12)9(2,3)4/h13H,6-7H2,1-5H3,(H,11,12)
InChIKeyVXDWEXIHMIUUAF-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.25
Rot. Bonds3

About 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide

2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide (PubChem CID 89041638) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide
PubChem CID89041638
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide
SMILESCCC(C)(CS)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NOS/c1-6-10(5,7-13)11-8(12)9(2,3)4/h13H,6-7H2,1-5H3,(H,11,12)
InChIKeyVXDWEXIHMIUUAF-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-sulfanylpropanamide
CID 14292941
2,2-dimethyl-N-(2-methylbutan-2-yl)propanamide
CID 14948144
N-tert-butyl-2-sulfanylacetamide
CID 17979811
Bis-(N-tert-butyl-3-propanamide) disulfane
CID 21822484
3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide
CID 23104694
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
CID 23104699
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
CID 23104711
N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104736
2,2-dimethyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104747
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104768
N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide
CID 23104789
N-tert-butyl-3-methylsulfanylpropanamide
CID 57752883

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide (CID 89041638) is 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide is CCC(C)(CS)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide?
The InChIKey is VXDWEXIHMIUUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-6-10(5,7-13)11-8(12)9(2,3)4/h13H,6-7H2,1-5H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide?
2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide has a molecular weight of 203.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-1-sulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 89041638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).