3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide

C11H20N2O2S — CID 102780062

IUPAC3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CCS(=O)CC1
InChIInChI=1S/C11H20N2O2S/c1-8-2-5-12-10(8)11(14)13-9-3-6-16(15)7-4-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyIFBHPWIXCZQTNE-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.01
Rot. Bonds2

About 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide

3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide (PubChem CID 102780062) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide
PubChem CID102780062
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CCS(=O)CC1
InChIInChI=1S/C11H20N2O2S/c1-8-2-5-12-10(8)11(14)13-9-3-6-16(15)7-4-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyIFBHPWIXCZQTNE-UHFFFAOYSA-N
XLogP0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-methylcyclobutyl)pyrrolidine-2-carboxamide
CID 102780045
3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide
CID 102779731
N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102779646
N-(3,5-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxamide
CID 102779573
N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778405
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779102
3-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 62339292
3-methyl-N-(6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 102779455
3-methyl-N-(oxetan-3-yl)piperidine-2-carboxamide
CID 107068369
3-methyl-N-(2-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 102779917
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
(2R)-N-(1-oxothiolan-3-yl)azetidine-2-carboxamide;hydrochloride
CID 131160680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide (CID 102780062) is 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NC1CCS(=O)CC1.
What is the InChIKey of 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is IFBHPWIXCZQTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8-2-5-12-10(8)11(14)13-9-3-6-16(15)7-4-9/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide?
3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102780062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).