N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide

C10H20N2OS — CID 115666735

IUPACN-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
SMILESCSC(C)(C)CNC(=O)C1CCCN1
InChIInChI=1S/C10H20N2OS/c1-10(2,14-3)7-12-9(13)8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyZBKIWDIREOQWKG-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds4

About N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide

N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide (PubChem CID 115666735) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
PubChem CID115666735
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
SMILESCSC(C)(C)CNC(=O)C1CCCN1
InChIInChI=1S/C10H20N2OS/c1-10(2,14-3)7-12-9(13)8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyZBKIWDIREOQWKG-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
CID 66188372
2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901235
N-(2-methyl-2-methylsulfanylpropyl)morpholine-3-carboxamide
CID 115739814
(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide
CID 119327774
(2R)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 106276954
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride
CID 119345447
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide (CID 115666735) is N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide is CSC(C)(C)CNC(=O)C1CCCN1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is ZBKIWDIREOQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,14-3)7-12-9(13)8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115666735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).