3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide

C11H20N2OS — CID 115738917

IUPAC3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CCSCC2)CCNC1
InChIInChI=1S/C11H20N2OS/c1-11(4-5-12-8-11)10(14)13-9-2-6-15-7-3-9/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyAIFKVOLKAGHWRD-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.00
Rot. Bonds2

About 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide

3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide (PubChem CID 115738917) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
PubChem CID115738917
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CCSCC2)CCNC1
InChIInChI=1S/C11H20N2OS/c1-11(4-5-12-8-11)10(14)13-9-2-6-15-7-3-9/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyAIFKVOLKAGHWRD-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385
N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63142128
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119864812
3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63139406
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701111
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylpyrrolidine-3-carboxamide
CID 114629667
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide
CID 63138598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide (CID 115738917) is 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide is CC1(C(=O)NC2CCSCC2)CCNC1.
What is the InChIKey of 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is AIFKVOLKAGHWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(4-5-12-8-11)10(14)13-9-2-6-15-7-3-9/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide?
3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115738917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).