N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine

C12H27NO2S — CID 62913822

IUPACN-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine
SMILESCCNC(C)C(CCS(=O)(=O)CC)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-13-11(5)12(10(3)4)8-9-16(14,15)7-2/h10-13H,6-9H2,1-5H3
InChIKeyBIBVOPHDQDYOIX-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.08
Rot. Bonds8

About N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine

N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine (PubChem CID 62913822) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine
PubChem CID62913822
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine
SMILESCCNC(C)C(CCS(=O)(=O)CC)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-13-11(5)12(10(3)4)8-9-16(14,15)7-2/h10-13H,6-9H2,1-5H3
InChIKeyBIBVOPHDQDYOIX-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-chloroethyl)-1-ethylsulfonyl-4-methylpentane
CID 62915706
3-(2-ethoxyethyl)-N-ethyl-4-methylpentan-2-amine
CID 62915827
N-ethyl-3-propan-2-ylnonan-2-amine
CID 63401515
N-ethyl-4-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116616698
5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
CID 106727166
4-bromo-1-ethylsulfonyl-3-methylhexane
CID 63560704
1-ethylsulfonyl-3-methylhexane
CID 150377536
4-ethylsulfonyl-2-methylbutan-1-ol
CID 66058110
4-(2-ethylsulfonylethylsulfonyl)butan-2-amine
CID 81195480
N-ethyl-1-ethylsulfonyldecan-4-amine
CID 115865211
6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine
CID 106732355
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 62530526

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine?
The IUPAC name of N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine (CID 62913822) is N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine?
The canonical SMILES for N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine is CCNC(C)C(CCS(=O)(=O)CC)C(C)C.
What is the InChIKey of N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine?
The InChIKey is BIBVOPHDQDYOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-13-11(5)12(10(3)4)8-9-16(14,15)7-2/h10-13H,6-9H2,1-5H3.
What are the key properties of N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine?
N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine is sourced from PubChem (CID 62913822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).