N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine

C15H31NO2S — CID 112570097

IUPACN-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
SMILESCC(C)(C)NCC(CCCS(C)(=O)=O)C1CCCC1
InChIInChI=1S/C15H31NO2S/c1-15(2,3)16-12-14(13-8-5-6-9-13)10-7-11-19(4,17)18/h13-14,16H,5-12H2,1-4H3
InChIKeyGEMUSHOLOKMGPX-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.01
Rot. Bonds7

About N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine

N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine (PubChem CID 112570097) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
PubChem CID112570097
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
SMILESCC(C)(C)NCC(CCCS(C)(=O)=O)C1CCCC1
InChIInChI=1S/C15H31NO2S/c1-15(2,3)16-12-14(13-8-5-6-9-13)10-7-11-19(4,17)18/h13-14,16H,5-12H2,1-4H3
InChIKeyGEMUSHOLOKMGPX-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730376
N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
CID 112570105
2-cyclopentyl-4-methylsulfonylbutan-1-amine
CID 112569568
2-cyclopentyl-5-methylsulfonylpentanoic acid
CID 112569238
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 83138361
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
CID 81395595
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
CID 107446700
2-methyl-N-[[2-(2-methylsulfonylethyl)cycloheptyl]methyl]propan-2-amine
CID 81025425

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine (CID 112570097) is N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine is CC(C)(C)NCC(CCCS(C)(=O)=O)C1CCCC1.
What is the InChIKey of N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine?
The InChIKey is GEMUSHOLOKMGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-15(2,3)16-12-14(13-8-5-6-9-13)10-7-11-19(4,17)18/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine?
N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine has a molecular weight of 289.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 112570097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).