3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide

C11H20N2O3S — CID 102777683

IUPAC3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-8-3-5-12-9(8)10(14)13-11(2)4-6-17(15,16)7-11/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJVSRLHKUPSQGNM-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.32
Rot. Bonds2

About 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide

3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide (PubChem CID 102777683) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide
PubChem CID102777683
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-8-3-5-12-9(8)10(14)13-11(2)4-6-17(15,16)7-11/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJVSRLHKUPSQGNM-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119684491
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 7058895
1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 113257455
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
[(3S)-3-methyl-1,1-dioxothiolan-3-yl]carbamothioylsulfanyl N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioate
CID 51496111
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51671181
1,1-dimethyl-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 7178379
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
CID 63130167
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-sulfanylpropanamide
CID 107027169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide (CID 102777683) is 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is JVSRLHKUPSQGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8-3-5-12-9(8)10(14)13-11(2)4-6-17(15,16)7-11/h8-9,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide?
3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102777683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).