2,3-dimethyl-2-sulfanylbutanamide

C6H13NOS — CID 55284967

IUPAC2,3-dimethyl-2-sulfanylbutanamide
SMILESCC(C)C(C)(S)C(N)=O
InChIInChI=1S/C6H13NOS/c1-4(2)6(3,9)5(7)8/h4,9H,1-3H3,(H2,7,8)
InChIKeyLANMNYKDRKVNJR-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.82
Rot. Bonds2

About 2,3-dimethyl-2-sulfanylbutanamide

2,3-dimethyl-2-sulfanylbutanamide (PubChem CID 55284967) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2,3-dimethyl-2-sulfanylbutanamide.

Molecular Properties

Compound Name2,3-dimethyl-2-sulfanylbutanamide
PubChem CID55284967
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2,3-dimethyl-2-sulfanylbutanamide
SMILESCC(C)C(C)(S)C(N)=O
InChIInChI=1S/C6H13NOS/c1-4(2)6(3,9)5(7)8/h4,9H,1-3H3,(H2,7,8)
InChIKeyLANMNYKDRKVNJR-UHFFFAOYSA-N
XLogP0.82
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.82
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

3,4-dimethyl-3-sulfanylpentan-2-one
CID 88635465
2-methyl-2-propan-2-ylpropanediamide
CID 45122126
2,2-bis(sulfanyl)propanamide;hydrazine
CID 161266278
(2S)-2-amino-2,3-dimethylbutanamide
CID 10154071
(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
CID 140943328
(3R)-3-amino-2,2-dimethylbutanamide
CID 88924219
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
2,3-dimethylbutan-2-yl carbamate
CID 20975410
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-sulfanylbutanamide?
The IUPAC name of 2,3-dimethyl-2-sulfanylbutanamide (CID 55284967) is 2,3-dimethyl-2-sulfanylbutanamide.
What is the SMILES notation for 2,3-dimethyl-2-sulfanylbutanamide?
The canonical SMILES for 2,3-dimethyl-2-sulfanylbutanamide is CC(C)C(C)(S)C(N)=O.
What is the InChIKey of 2,3-dimethyl-2-sulfanylbutanamide?
The InChIKey is LANMNYKDRKVNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-4(2)6(3,9)5(7)8/h4,9H,1-3H3,(H2,7,8).
What are the key properties of 2,3-dimethyl-2-sulfanylbutanamide?
2,3-dimethyl-2-sulfanylbutanamide has a molecular weight of 147.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-sulfanylbutanamide is sourced from PubChem (CID 55284967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).