N-(thiolan-3-yl)pyrrolidine-3-carboxamide

C9H16N2OS — CID 103811764

IUPACN-(thiolan-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCSC1)C1CCNC1
InChIInChI=1S/C9H16N2OS/c12-9(7-1-3-10-5-7)11-8-2-4-13-6-8/h7-8,10H,1-6H2,(H,11,12)
InChIKeyKVXIOFZBSJVKCL-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.22
Rot. Bonds2

About N-(thiolan-3-yl)pyrrolidine-3-carboxamide

N-(thiolan-3-yl)pyrrolidine-3-carboxamide (PubChem CID 103811764) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(thiolan-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(thiolan-3-yl)pyrrolidine-3-carboxamide
PubChem CID103811764
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(thiolan-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCSC1)C1CCNC1
InChIInChI=1S/C9H16N2OS/c12-9(7-1-3-10-5-7)11-8-2-4-13-6-8/h7-8,10H,1-6H2,(H,11,12)
InChIKeyKVXIOFZBSJVKCL-UHFFFAOYSA-N
XLogP0.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]thiolane-3-carboxamide
CID 79689053
N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119313224
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119812040
(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171930235
N-(3,4-dimethylcyclohexyl)pyrrolidine-3-carboxamide
CID 64741940
N-(6-oxopiperidin-3-yl)pyrrolidine-3-carboxamide
CID 63663368
N-piperidin-4-ylazetidine-3-carboxamide
CID 123647317
N-cyclopropylthiolane-3-carboxamide
CID 64591320
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide
CID 130624332

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(thiolan-3-yl)pyrrolidine-3-carboxamide (CID 103811764) is N-(thiolan-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(thiolan-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(thiolan-3-yl)pyrrolidine-3-carboxamide is O=C(NC1CCSC1)C1CCNC1.
What is the InChIKey of N-(thiolan-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is KVXIOFZBSJVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9(7-1-3-10-5-7)11-8-2-4-13-6-8/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of N-(thiolan-3-yl)pyrrolidine-3-carboxamide?
N-(thiolan-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 200.31 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103811764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).