2-ethoxy-6-ethylsulfonylhexan-3-amine

C10H23NO3S — CID 65095664

IUPAC2-ethoxy-6-ethylsulfonylhexan-3-amine
SMILESCCOC(C)C(N)CCCS(=O)(=O)CC
InChIInChI=1S/C10H23NO3S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyHNCWEPMJYQRESV-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.95
Rot. Bonds8

About 2-ethoxy-6-ethylsulfonylhexan-3-amine

2-ethoxy-6-ethylsulfonylhexan-3-amine (PubChem CID 65095664) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-ethoxy-6-ethylsulfonylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-ethylsulfonylhexan-3-amine
PubChem CID65095664
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name2-ethoxy-6-ethylsulfonylhexan-3-amine
SMILESCCOC(C)C(N)CCCS(=O)(=O)CC
InChIInChI=1S/C10H23NO3S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyHNCWEPMJYQRESV-UHFFFAOYSA-N
XLogP0.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 103214794
5-Ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103474801
5-Ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 113789323
3-(2-Methyloxolan-3-yl)sulfonylpropan-1-amine
CID 58684868
(3R,6S)-6-(methylsulfonylmethyl)oxan-3-amine
CID 68310072
(3R,6S)-6-(methylsulfonylmethyl)oxan-3-amine;hydrochloride
CID 70871986
(1R)-2-methylsulfonyl-1-(oxan-2-yl)ethanamine
CID 137531116
1-Methoxy-5-methylsulfonylpentan-2-amine
CID 62318908
5-Ethylsulfonyl-1-methoxypentan-2-amine
CID 62319088
4-Methylsulfonyl-1-propoxybutan-2-amine
CID 62603396
1-Methoxy-6-methylsulfonylhexan-2-amine
CID 63191860
5-Methylsulfonyl-1-propoxypentan-2-amine
CID 63192588

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-ethylsulfonylhexan-3-amine?
The IUPAC name of 2-ethoxy-6-ethylsulfonylhexan-3-amine (CID 65095664) is 2-ethoxy-6-ethylsulfonylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-6-ethylsulfonylhexan-3-amine?
The canonical SMILES for 2-ethoxy-6-ethylsulfonylhexan-3-amine is CCOC(C)C(N)CCCS(=O)(=O)CC.
What is the InChIKey of 2-ethoxy-6-ethylsulfonylhexan-3-amine?
The InChIKey is HNCWEPMJYQRESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-ethoxy-6-ethylsulfonylhexan-3-amine?
2-ethoxy-6-ethylsulfonylhexan-3-amine has a molecular weight of 237.36 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-ethylsulfonylhexan-3-amine is sourced from PubChem (CID 65095664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).