3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide

C11H22N2OS — CID 119454357

IUPAC3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCCSCCC(=O)NC1CCNC1
InChIInChI=1S/C11H22N2OS/c1-2-3-7-15-8-5-11(14)13-10-4-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyVEXVOCGROCLKBL-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds7

About 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide

3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119454357) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119454357
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCCSCCC(=O)NC1CCNC1
InChIInChI=1S/C11H22N2OS/c1-2-3-7-15-8-5-11(14)13-10-4-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyVEXVOCGROCLKBL-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide 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

N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-pyrrolidin-3-ylpropanamide
CID 18337238
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide
CID 143542096
N-(azepan-4-yl)dodecanamide
CID 105060891
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
2-ethoxy-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 79685871
N-pyrrolidin-3-ylpent-4-ynamide
CID 103840756
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408
N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
CID 119428545
3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
CID 66217317

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide (CID 119454357) is 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide is CCCCSCCC(=O)NC1CCNC1.
What is the InChIKey of 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is VEXVOCGROCLKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-2-3-7-15-8-5-11(14)13-10-4-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide?
3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119454357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).