N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide

C10H20N2OS — CID 63959969

IUPACN-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
SMILESCSCC(C)CNC(=O)C1CCNC1
InChIInChI=1S/C10H20N2OS/c1-8(7-14-2)5-12-10(13)9-3-4-11-6-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyTZNBBIUNXSDLLW-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.71
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide

N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide (PubChem CID 63959969) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
PubChem CID63959969
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
SMILESCSCC(C)CNC(=O)C1CCNC1
InChIInChI=1S/C10H20N2OS/c1-8(7-14-2)5-12-10(13)9-3-4-11-6-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyTZNBBIUNXSDLLW-UHFFFAOYSA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
CID 65036211
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
N-(2-methoxypropyl)pyrrolidine-3-carboxamide
CID 102694813
N-(2-methylsulfanylpropyl)piperidine-4-carboxamide
CID 83632756
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119902553
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959527
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
CID 103811158
(3R)-N-(3-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 81140932
N-(2-hydroxypentyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119783584
N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 119750683

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide (CID 63959969) is N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide is CSCC(C)CNC(=O)C1CCNC1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is TZNBBIUNXSDLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(7-14-2)5-12-10(13)9-3-4-11-6-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide?
N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63959969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).