N-(thian-4-yl)pyrrolidine-2-carboxamide

C10H18N2OS — CID 115626530

IUPACN-(thian-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCSCC1)C1CCCN1
InChIInChI=1S/C10H18N2OS/c13-10(9-2-1-5-11-9)12-8-3-6-14-7-4-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyXIMFOSBBUHYFBW-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.75
Rot. Bonds2

About N-(thian-4-yl)pyrrolidine-2-carboxamide

N-(thian-4-yl)pyrrolidine-2-carboxamide (PubChem CID 115626530) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(thian-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(thian-4-yl)pyrrolidine-2-carboxamide
PubChem CID115626530
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(thian-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCSCC1)C1CCCN1
InChIInChI=1S/C10H18N2OS/c13-10(9-2-1-5-11-9)12-8-3-6-14-7-4-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyXIMFOSBBUHYFBW-UHFFFAOYSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810217
(2R)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810216
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 119309724
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2S)-N-cyclopent-3-en-1-ylpyrrolidine-2-carboxamide
CID 104863890
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(thian-4-yl)pyrrolidine-2-carboxamide (CID 115626530) is N-(thian-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(thian-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(thian-4-yl)pyrrolidine-2-carboxamide is O=C(NC1CCSCC1)C1CCCN1.
What is the InChIKey of N-(thian-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is XIMFOSBBUHYFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c13-10(9-2-1-5-11-9)12-8-3-6-14-7-4-8/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of N-(thian-4-yl)pyrrolidine-2-carboxamide?
N-(thian-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115626530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).