6-ethylsulfonyl-2,2-dimethylhexan-3-amine

C10H23NO2S — CID 61057473

IUPAC6-ethylsulfonyl-2,2-dimethylhexan-3-amine
SMILESCCS(=O)(=O)CCCC(N)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-5-14(12,13)8-6-7-9(11)10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyWJEXJZYEZCFDRP-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.57
Rot. Bonds5

About 6-ethylsulfonyl-2,2-dimethylhexan-3-amine

6-ethylsulfonyl-2,2-dimethylhexan-3-amine (PubChem CID 61057473) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 6-ethylsulfonyl-2,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-2,2-dimethylhexan-3-amine
PubChem CID61057473
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name6-ethylsulfonyl-2,2-dimethylhexan-3-amine
SMILESCCS(=O)(=O)CCCC(N)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-5-14(12,13)8-6-7-9(11)10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyWJEXJZYEZCFDRP-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methanesulfonyl-4-methylpentan-2-amine hydrochloride
CID 137964301
(2S)-1-methanesulfonyl-4-methylpentan-2-amine hydrochloride
CID 137964336
(s)-5-Methyl-1-(methylsulfonyl)hexan-3-amine
CID 129846824
(2S)-1-methanesulfonyl-4-methylpentan-2-amine
CID 94451359
4-Tert-butylsulfonylhexan-1-amine
CID 21458596
6-Tert-butylsulfonylhexan-1-amine
CID 54231829
Potassium 6-(2-aminoethylsulfanyl)-5,5-dimethylhexane-1-sulfonate
CID 57945624
6-(2-Aminoethylsulfanyl)-5,5-dimethylhexane-1-sulfonic acid
CID 57945625
3,3-Dimethyl-1,1-dioxothian-4-amine
CID 59657846
6,6-Dimethyl-1,1-dioxothian-3-amine
CID 59657858
2,2-Dimethyl-1,1-dioxothian-3-amine
CID 59657872
4,4-Dimethyl-1,1-dioxothian-3-amine
CID 59657908

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-2,2-dimethylhexan-3-amine?
The IUPAC name of 6-ethylsulfonyl-2,2-dimethylhexan-3-amine (CID 61057473) is 6-ethylsulfonyl-2,2-dimethylhexan-3-amine.
What is the SMILES notation for 6-ethylsulfonyl-2,2-dimethylhexan-3-amine?
The canonical SMILES for 6-ethylsulfonyl-2,2-dimethylhexan-3-amine is CCS(=O)(=O)CCCC(N)C(C)(C)C.
What is the InChIKey of 6-ethylsulfonyl-2,2-dimethylhexan-3-amine?
The InChIKey is WJEXJZYEZCFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-14(12,13)8-6-7-9(11)10(2,3)4/h9H,5-8,11H2,1-4H3.
What are the key properties of 6-ethylsulfonyl-2,2-dimethylhexan-3-amine?
6-ethylsulfonyl-2,2-dimethylhexan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-2,2-dimethylhexan-3-amine is sourced from PubChem (CID 61057473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).