N-(3-ethylsulfanylbutyl)butanamide

C10H21NOS — CID 57108947

IUPACN-(3-ethylsulfanylbutyl)butanamide
SMILESCCCC(=O)NCCC(C)SCC
InChIInChI=1S/C10H21NOS/c1-4-6-10(12)11-8-7-9(3)13-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyORUCNNLITBCQQM-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.43
Rot. Bonds7

About N-(3-ethylsulfanylbutyl)butanamide

N-(3-ethylsulfanylbutyl)butanamide (PubChem CID 57108947) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(3-ethylsulfanylbutyl)butanamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylbutyl)butanamide
PubChem CID57108947
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(3-ethylsulfanylbutyl)butanamide
SMILESCCCC(=O)NCCC(C)SCC
InChIInChI=1S/C10H21NOS/c1-4-6-10(12)11-8-7-9(3)13-5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyORUCNNLITBCQQM-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-ethylsulfanylbutyl)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

3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
N-[2-(methylthio)ethyl]butanamide
CID 2245988
2,5-Diethyl-5,6-dihydro-2H-1,4-thiazin-3-ol
CID 95529
Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
CID 57217
Propanamide, N-[2-(hexylthio)ethyl]-
CID 113635
N-(2-Sulfanylethyl)butanamide
CID 22222166
N-(thiolan-2-yl)acetamide
CID 44558384
S-[2-(acetylamino)ethyl] 3-oxobutanethioate
CID 90044
N-[2-(Acetylsulfanyl)ethyl]-4-aminobutanimidic acid--hydrogen bromide (1/1)
CID 49796293
3-(methylsulfanyl)-N-(propan-2-yl)propanamide
CID 21304893
3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide
CID 71854930
N-[3-(2-methylpropylsulfanyl)propyl]cyclobutanecarboxamide
CID 75390121

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylbutyl)butanamide?
The IUPAC name of N-(3-ethylsulfanylbutyl)butanamide (CID 57108947) is N-(3-ethylsulfanylbutyl)butanamide.
What is the SMILES notation for N-(3-ethylsulfanylbutyl)butanamide?
The canonical SMILES for N-(3-ethylsulfanylbutyl)butanamide is CCCC(=O)NCCC(C)SCC.
What is the InChIKey of N-(3-ethylsulfanylbutyl)butanamide?
The InChIKey is ORUCNNLITBCQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-6-10(12)11-8-7-9(3)13-5-2/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(3-ethylsulfanylbutyl)butanamide?
N-(3-ethylsulfanylbutyl)butanamide has a molecular weight of 203.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylbutyl)butanamide is sourced from PubChem (CID 57108947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).