N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine

C15H33NO2S — CID 65097386

IUPACN-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNC(C)(C)C)CC(C)C
InChIInChI=1S/C15H33NO2S/c1-7-19(17,18)10-8-9-14(11-13(2)3)12-16-15(4,5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyYMCBCVOKXMDCNK-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.25
Rot. Bonds9

About N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine

N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine (PubChem CID 65097386) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine
PubChem CID65097386
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(CNC(C)(C)C)CC(C)C
InChIInChI=1S/C15H33NO2S/c1-7-19(17,18)10-8-9-14(11-13(2)3)12-16-15(4,5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyYMCBCVOKXMDCNK-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Fluoro-3-propylsulfonylpropyl)piperidine
CID 106735929
3-(3-Tert-butylsulfonyl-1-fluoropropyl)piperidine
CID 106735930
3-(3-Ethylsulfonyl-1-fluoropropyl)piperidine
CID 106735931
3-(1-Fluoro-3-propan-2-ylsulfonylpropyl)piperidine
CID 106735932
4-(4-Ethylsulfonyl-1-fluorobutyl)piperidine
CID 112563811
N-[2-fluoro-2-(3-methylsulfonylcyclohexyl)ethyl]-2-methylpropan-2-amine
CID 113960486
3-(2-Methyltridecan-2-ylazaniumyl)propane-1-sulfonate
CID 18699564
4-[3-(2-Methylpropylsulfonyl)propyl]piperidine
CID 56997394
4-(3-Butylsulfonylpropyl)piperidine
CID 57078100
3-(2-Propylpyrrolidin-2-yl)thiane 1,1-dioxide
CID 57306633
(2R,4S)-2-(2-methylpropyl)-4-methylsulfonylpyrrolidine
CID 57733776
(2R,4R)-2-(2-methylpropyl)-4-methylsulfonylpyrrolidine
CID 57733841

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine (CID 65097386) is N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine is CCS(=O)(=O)CCCC(CNC(C)(C)C)CC(C)C.
What is the InChIKey of N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine?
The InChIKey is YMCBCVOKXMDCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-7-19(17,18)10-8-9-14(11-13(2)3)12-16-15(4,5)6/h13-14,16H,7-12H2,1-6H3.
What are the key properties of N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine?
N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine is sourced from PubChem (CID 65097386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).