N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide

C12H22N2OS2 — CID 18358011

IUPACN-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCCC1CCSS1)N1CCCC1
InChIInChI=1S/C12H22N2OS2/c15-12(14-8-3-4-9-14)13-7-2-1-5-11-6-10-16-17-11/h11H,1-10H2,(H,13,15)
InChIKeyOZVFXCHMLRICTI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.12
Rot. Bonds5

About N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide

N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide (PubChem CID 18358011) has the molecular formula C12H22N2OS2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide
PubChem CID18358011
Molecular FormulaC12H22N2OS2
Molecular Weight274.45 g/mol
Exact Mass274.12
IUPAC NameN-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCCC1CCSS1)N1CCCC1
InChIInChI=1S/C12H22N2OS2/c15-12(14-8-3-4-9-14)13-7-2-1-5-11-6-10-16-17-11/h11H,1-10H2,(H,13,15)
InChIKeyOZVFXCHMLRICTI-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide 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-[4-(dithiolan-3-yl)butyl]piperidine-1-carboxamide
CID 18358051
5-(dithiolan-3-yl)-1-pyrrolidin-1-ylpentan-1-one
CID 18358037
1-[4-(dithiolan-3-yl)butyl]-3-hydroxyurea
CID 18358002
methyl N-[4-(dithiolan-3-yl)butyl]carbamate
CID 18358080
5-(dithiolan-3-yl)-1-(1,4,7-triazacyclododec-1-yl)pentan-1-one
CID 157423198
N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
CID 79152117
3-[5-(dithiolan-3-yl)pentanoylamino]propane-1-sulfonic acid
CID 91864609
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
5-(dithiolan-3-yl)-N-[2-[(2-hydroxyacetyl)amino]ethyl]pentanamide
CID 87772162
N-(6-hydroxyhexyl)piperidine-1-carboxamide
CID 103918692
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647

Frequently Asked Questions

What is the IUPAC name of N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide (CID 18358011) is N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide is O=C(NCCCCC1CCSS1)N1CCCC1.
What is the InChIKey of N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide?
The InChIKey is OZVFXCHMLRICTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2/c15-12(14-8-3-4-9-14)13-7-2-1-5-11-6-10-16-17-11/h11H,1-10H2,(H,13,15).
What are the key properties of N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide?
N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide has a molecular weight of 274.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dithiolan-3-yl)butyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 18358011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).