6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine

C12H27NO2S — CID 106732355

IUPAC6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(C)CC(C)CCS(=O)(=O)CC
InChIInChI=1S/C12H27NO2S/c1-5-8-13-12(4)10-11(3)7-9-16(14,15)6-2/h11-13H,5-10H2,1-4H3
InChIKeyZHUDVEYGHGKXKP-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.23
Rot. Bonds9

About 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine

6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine (PubChem CID 106732355) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine
PubChem CID106732355
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(C)CC(C)CCS(=O)(=O)CC
InChIInChI=1S/C12H27NO2S/c1-5-8-13-12(4)10-11(3)7-9-16(14,15)6-2/h11-13H,5-10H2,1-4H3
InChIKeyZHUDVEYGHGKXKP-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-6-propylsulfonylhexan-2-amine
CID 106732347
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
CID 107760352
4-methyl-N-propyldodecan-2-amine
CID 64721884
1-ethylsulfonyl-3-methylhexane
CID 150377536
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932
6-(aziridin-1-yl)-4-methyl-N-propylhexan-2-amine
CID 167270621
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
4-(3-methylbutan-2-ylsulfonyl)-N-propylbutan-2-amine
CID 107759127

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine?
The IUPAC name of 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine (CID 106732355) is 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine?
The canonical SMILES for 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine is CCCNC(C)CC(C)CCS(=O)(=O)CC.
What is the InChIKey of 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine?
The InChIKey is ZHUDVEYGHGKXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-5-8-13-12(4)10-11(3)7-9-16(14,15)6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine?
6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 106732355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).