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

C11H22N2OS — CID 115977036

IUPAC4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(CSC)NC(=O)C1CNCC1C
InChIInChI=1S/C11H22N2OS/c1-4-9(7-15-3)13-11(14)10-6-12-5-8(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyFQJRSIFJMXHPKG-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.10
Rot. Bonds5

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

4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 115977036) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
PubChem CID115977036
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(CSC)NC(=O)C1CNCC1C
InChIInChI=1S/C11H22N2OS/c1-4-9(7-15-3)13-11(14)10-6-12-5-8(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyFQJRSIFJMXHPKG-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63959972
4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-3-carboxamide
CID 103822108
(3S,4S)-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-3-carboxamide
CID 106428244
N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 112659124
N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 112659318
N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113477449
N-(1-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113494744
N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113499083
N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116088763
N-(4-ethylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116411689
N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116415713
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide (CID 115977036) is 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide is CCC(CSC)NC(=O)C1CNCC1C.
What is the InChIKey of 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is FQJRSIFJMXHPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-9(7-15-3)13-11(14)10-6-12-5-8(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide?
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115977036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).