N-(3-methyl-1-sulfanylbutan-2-yl)acetamide

C7H15NOS — CID 130023779

IUPACN-(3-methyl-1-sulfanylbutan-2-yl)acetamide
SMILESCC(=O)NC(CS)C(C)C
InChIInChI=1S/C7H15NOS/c1-5(2)7(4-10)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9)
InChIKeyHIWICOVJFXOKJD-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.08
Rot. Bonds3

About N-(3-methyl-1-sulfanylbutan-2-yl)acetamide

N-(3-methyl-1-sulfanylbutan-2-yl)acetamide (PubChem CID 130023779) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-(3-methyl-1-sulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1-sulfanylbutan-2-yl)acetamide
PubChem CID130023779
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-(3-methyl-1-sulfanylbutan-2-yl)acetamide
SMILESCC(=O)NC(CS)C(C)C
InChIInChI=1S/C7H15NOS/c1-5(2)7(4-10)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9)
InChIKeyHIWICOVJFXOKJD-UHFFFAOYSA-N
XLogP1.08
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.08
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-acetamido-4-methylpentanoic acid
CID 22460001
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide
CID 165173028
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-(2-methylhex-5-yn-3-yl)acetamide
CID 130015615
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-(2,7,7-trimethyloctan-3-yl)acetamide
CID 144535595
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-sulfanylbutan-2-yl)acetamide?
The IUPAC name of N-(3-methyl-1-sulfanylbutan-2-yl)acetamide (CID 130023779) is N-(3-methyl-1-sulfanylbutan-2-yl)acetamide.
What is the SMILES notation for N-(3-methyl-1-sulfanylbutan-2-yl)acetamide?
The canonical SMILES for N-(3-methyl-1-sulfanylbutan-2-yl)acetamide is CC(=O)NC(CS)C(C)C.
What is the InChIKey of N-(3-methyl-1-sulfanylbutan-2-yl)acetamide?
The InChIKey is HIWICOVJFXOKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-5(2)7(4-10)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9).
What are the key properties of N-(3-methyl-1-sulfanylbutan-2-yl)acetamide?
N-(3-methyl-1-sulfanylbutan-2-yl)acetamide has a molecular weight of 161.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-sulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 130023779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).