N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide

C12H24N2OS — CID 115976508

IUPACN,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCSCCC(C)N(C)C(=O)C1(C)CCCN1
InChIInChI=1S/C12H24N2OS/c1-10(6-9-16-4)14(3)11(15)12(2)7-5-8-13-12/h10,13H,5-9H2,1-4H3
InChIKeyHXJGKGIVANLSNK-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds5

About N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide

N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 115976508) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID115976508
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCSCCC(C)N(C)C(=O)C1(C)CCCN1
InChIInChI=1S/C12H24N2OS/c1-10(6-9-16-4)14(3)11(15)12(2)7-5-8-13-12/h10,13H,5-9H2,1-4H3
InChIKeyHXJGKGIVANLSNK-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 113269218
N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide
CID 104596127
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 104876636
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 104876644
N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide
CID 115747592
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975714
N-ethyl-2-methyl-N-(2-methylbutyl)piperidine-2-carboxamide
CID 113368651
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
CID 107036026
N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 104597142
N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596433
propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
CID 116658052
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide (CID 115976508) is N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide is CSCCC(C)N(C)C(=O)C1(C)CCCN1.
What is the InChIKey of N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is HXJGKGIVANLSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(6-9-16-4)14(3)11(15)12(2)7-5-8-13-12/h10,13H,5-9H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide?
N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115976508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).