2-(dimethylamino)-3-methyl-N-sulfanylbutanamide

C7H16N2OS — CID 166115605

IUPAC2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
SMILESCC(C)C(C(=O)NS)N(C)C
InChIInChI=1S/C7H16N2OS/c1-5(2)6(9(3)4)7(10)8-11/h5-6,11H,1-4H3,(H,8,10)
InChIKeyYJDNOUCEOJFNLD-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.53
Rot. Bonds3

About 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide

2-(dimethylamino)-3-methyl-N-sulfanylbutanamide (PubChem CID 166115605) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide.

Molecular Properties

Compound Name2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
PubChem CID166115605
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
SMILESCC(C)C(C(=O)NS)N(C)C
InChIInChI=1S/C7H16N2OS/c1-5(2)6(9(3)4)7(10)8-11/h5-6,11H,1-4H3,(H,8,10)
InChIKeyYJDNOUCEOJFNLD-UHFFFAOYSA-N
XLogP0.53
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide?
The IUPAC name of 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide (CID 166115605) is 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide.
What is the SMILES notation for 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide?
The canonical SMILES for 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide is CC(C)C(C(=O)NS)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide?
The InChIKey is YJDNOUCEOJFNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-5(2)6(9(3)4)7(10)8-11/h5-6,11H,1-4H3,(H,8,10).
What are the key properties of 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide?
2-(dimethylamino)-3-methyl-N-sulfanylbutanamide has a molecular weight of 176.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methyl-N-sulfanylbutanamide is sourced from PubChem (CID 166115605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).