2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine

C15H31NO2S — CID 106735498

IUPAC2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)S(=O)(=O)CCC1CCCC1CNC(C)(C)C
InChIInChI=1S/C15H31NO2S/c1-12(2)19(17,18)10-9-13-7-6-8-14(13)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyOTYKCLMSCHLQAW-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.00
Rot. Bonds6

About 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 106735498) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID106735498
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)S(=O)(=O)CCC1CCCC1CNC(C)(C)C
InChIInChI=1S/C15H31NO2S/c1-12(2)19(17,18)10-9-13-7-6-8-14(13)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyOTYKCLMSCHLQAW-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 106735499
N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine
CID 106735482
2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine
CID 81025425
1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane
CID 106729081
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627
2-(2-propan-2-ylsulfonylethyl)cycloheptan-1-ol
CID 106729005
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 106725815
N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730376
N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106735621
N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106735451
1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine (CID 106735498) is 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine is CC(C)S(=O)(=O)CCC1CCCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is OTYKCLMSCHLQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-12(2)19(17,18)10-9-13-7-6-8-14(13)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 289.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 106735498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).