(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide

C10H18N2OS2 — CID 103797025

IUPAC(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CSCCS1)[C@H]1CCCN1
InChIInChI=1S/C10H18N2OS2/c13-10(9-2-1-3-11-9)12-6-8-7-14-4-5-15-8/h8-9,11H,1-7H2,(H,12,13)/t8?,9-/m1/s1
InChIKeyPRAVFMHKQYLLDA-YGPZHTELSA-N
MW246.40 g/mol
LogP0.70
Rot. Bonds3

About (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide

(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 103797025) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID103797025
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CSCCS1)[C@H]1CCCN1
InChIInChI=1S/C10H18N2OS2/c13-10(9-2-1-3-11-9)12-6-8-7-14-4-5-15-8/h8-9,11H,1-7H2,(H,12,13)/t8?,9-/m1/s1
InChIKeyPRAVFMHKQYLLDA-YGPZHTELSA-N
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-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-(1,4-dithian-2-ylmethyl)azepane-2-carboxamide
CID 113489395
N-(thian-2-ylmethyl)piperidine-2-carboxamide
CID 80599886
N-(thiolan-2-ylmethyl)azepane-2-carboxamide
CID 80584708
N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide
CID 115734269
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
2-(1,4-dithian-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976194
(2R)-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 103795243
(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 79362349
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
1-cyclohexyl-3-[[(2R)-1,4-dithian-2-yl]methyl]urea
CID 95975061

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide (CID 103797025) is (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CSCCS1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is PRAVFMHKQYLLDA-YGPZHTELSA-N. The full InChI is InChI=1S/C10H18N2OS2/c13-10(9-2-1-3-11-9)12-6-8-7-14-4-5-15-8/h8-9,11H,1-7H2,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 246.40 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103797025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).