2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine

C16H31NO2S — CID 75439028

IUPAC2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
SMILESCC(C)(CN1CCCC1CC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H31NO2S/c1-16(2,20(3,18)19)13-17-11-7-10-15(17)12-14-8-5-4-6-9-14/h14-15H,4-13H2,1-3H3
InChIKeyKYXCMRPJZLXALI-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.24
Rot. Bonds5

About 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine

2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine (PubChem CID 75439028) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
PubChem CID75439028
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
SMILESCC(C)(CN1CCCC1CC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H31NO2S/c1-16(2,20(3,18)19)13-17-11-7-10-15(17)12-14-8-5-4-6-9-14/h14-15H,4-13H2,1-3H3
InChIKeyKYXCMRPJZLXALI-UHFFFAOYSA-N
XLogP3.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
CID 95358786
(2S)-2-cyclohexyl-1-(3,3-dimethylbutylsulfonyl)pyrrolidine
CID 99807778
3-(Methylsulfonylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778998
2-(Methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine
CID 58779017
2-Ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 70939934
N-ethyl-N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 118178443
2-Cyclohexyl-1-methylsulfonylpyrrolidine
CID 61069086
2-Cyclohexyl-1-propan-2-ylsulfonylpyrrolidine
CID 61357038
2-Cyclohexyl-1-ethylsulfonylpyrrolidine
CID 61357039
2-Cyclohexyl-1-propylsulfonylpyrrolidine
CID 61384313
2-Cyclopentyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 71861861
2-Methyl-1-(2-methylsulfonylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 71988903

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine?
The IUPAC name of 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine (CID 75439028) is 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine?
The canonical SMILES for 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine is CC(C)(CN1CCCC1CC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine?
The InChIKey is KYXCMRPJZLXALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-16(2,20(3,18)19)13-17-11-7-10-15(17)12-14-8-5-4-6-9-14/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine?
2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine has a molecular weight of 301.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine is sourced from PubChem (CID 75439028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).