N-(2-methyl-1-sulfanylpropan-2-yl)butanamide

C8H17NOS — CID 89201599

IUPACN-(2-methyl-1-sulfanylpropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)(C)CS
InChIInChI=1S/C8H17NOS/c1-4-5-7(10)9-8(2,3)6-11/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyMLQQRYFLPLFQNA-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.61
Rot. Bonds4

About N-(2-methyl-1-sulfanylpropan-2-yl)butanamide

N-(2-methyl-1-sulfanylpropan-2-yl)butanamide (PubChem CID 89201599) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(2-methyl-1-sulfanylpropan-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-methyl-1-sulfanylpropan-2-yl)butanamide
PubChem CID89201599
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(2-methyl-1-sulfanylpropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)(C)CS
InChIInChI=1S/C8H17NOS/c1-4-5-7(10)9-8(2,3)6-11/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyMLQQRYFLPLFQNA-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.61
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-butylbutanamide
CID 221967
N-tert-butyl-3-sulfanylpropanamide
CID 14292941
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)-5-sulfanylpentanamide
CID 23104770
N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide
CID 23104789

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)butanamide?
The IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)butanamide (CID 89201599) is N-(2-methyl-1-sulfanylpropan-2-yl)butanamide.
What is the SMILES notation for N-(2-methyl-1-sulfanylpropan-2-yl)butanamide?
The canonical SMILES for N-(2-methyl-1-sulfanylpropan-2-yl)butanamide is CCCC(=O)NC(C)(C)CS.
What is the InChIKey of N-(2-methyl-1-sulfanylpropan-2-yl)butanamide?
The InChIKey is MLQQRYFLPLFQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-4-5-7(10)9-8(2,3)6-11/h11H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-methyl-1-sulfanylpropan-2-yl)butanamide?
N-(2-methyl-1-sulfanylpropan-2-yl)butanamide has a molecular weight of 175.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-sulfanylpropan-2-yl)butanamide is sourced from PubChem (CID 89201599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).