N-(1-sulfanylpropyl)butanamide

C7H15NOS — CID 154492775

IUPACN-(1-sulfanylpropyl)butanamide
SMILESCCCC(=O)NC(S)CC
InChIInChI=1S/C7H15NOS/c1-3-5-6(9)8-7(10)4-2/h7,10H,3-5H2,1-2H3,(H,8,9)
InChIKeyRMUVOUQROHFCSC-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.57
Rot. Bonds4

About N-(1-sulfanylpropyl)butanamide

N-(1-sulfanylpropyl)butanamide (PubChem CID 154492775) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-(1-sulfanylpropyl)butanamide.

Molecular Properties

Compound NameN-(1-sulfanylpropyl)butanamide
PubChem CID154492775
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-(1-sulfanylpropyl)butanamide
SMILESCCCC(=O)NC(S)CC
InChIInChI=1S/C7H15NOS/c1-3-5-6(9)8-7(10)4-2/h7,10H,3-5H2,1-2H3,(H,8,9)
InChIKeyRMUVOUQROHFCSC-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(1-sulfanylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-propan-2-ylbutanamide
CID 169175258
N-sulfanylbutanamide
CID 18680505
N-hexan-2-ylbutanamide
CID 64592038
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
diethyl 2-(butanoylamino)propanedioate
CID 13130446
ethyl (3S)-3-(butanoylamino)-4-ethylhexanoate
CID 102302426
ethyl 2-(butanoylamino)-3-hydroxybutanoate
CID 89093680
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
N-(1-cyanoethyl)butanamide
CID 61120062
ethyl (3S)-3-(butanoylamino)pentanoate
CID 102302420
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]butanamide
CID 110349052

Frequently Asked Questions

What is the IUPAC name of N-(1-sulfanylpropyl)butanamide?
The IUPAC name of N-(1-sulfanylpropyl)butanamide (CID 154492775) is N-(1-sulfanylpropyl)butanamide.
What is the SMILES notation for N-(1-sulfanylpropyl)butanamide?
The canonical SMILES for N-(1-sulfanylpropyl)butanamide is CCCC(=O)NC(S)CC.
What is the InChIKey of N-(1-sulfanylpropyl)butanamide?
The InChIKey is RMUVOUQROHFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-5-6(9)8-7(10)4-2/h7,10H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N-(1-sulfanylpropyl)butanamide?
N-(1-sulfanylpropyl)butanamide has a molecular weight of 161.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-sulfanylpropyl)butanamide is sourced from PubChem (CID 154492775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).