6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine

C11H25NO2S — CID 106732362

IUPAC6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine
SMILESCCS(=O)(=O)CCC(C)(C)CC(C)NC
InChIInChI=1S/C11H25NO2S/c1-6-15(13,14)8-7-11(3,4)9-10(2)12-5/h10,12H,6-9H2,1-5H3
InChIKeyULJYHVFCUOIHNB-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds7

About 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine

6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine (PubChem CID 106732362) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine
PubChem CID106732362
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine
SMILESCCS(=O)(=O)CCC(C)(C)CC(C)NC
InChIInChI=1S/C11H25NO2S/c1-6-15(13,14)8-7-11(3,4)9-10(2)12-5/h10,12H,6-9H2,1-5H3
InChIKeyULJYHVFCUOIHNB-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethylsulfonyl-4,4-dimethylhexan-2-amine
CID 106732358
N,4,4,7,7-pentamethyloctan-2-amine
CID 64716367
6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine
CID 106732369
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
CID 62724939
5-ethylsulfonyl-3,3-dimethylpentanoic acid
CID 106735284
(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine
CID 98041220
4-iodo-N,4-dimethylpentan-2-amine
CID 88918834
N-methyl-1-pentylsulfonylpropan-2-amine
CID 107758535
N-methyl-4-propylsulfonylpentan-2-amine
CID 64703585
5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
CID 65097556
4-ethylsulfonyl-2,2-dimethylbutanenitrile
CID 65263436

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine?
The IUPAC name of 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine (CID 106732362) is 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine.
What is the SMILES notation for 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine?
The canonical SMILES for 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine is CCS(=O)(=O)CCC(C)(C)CC(C)NC.
What is the InChIKey of 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine?
The InChIKey is ULJYHVFCUOIHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-6-15(13,14)8-7-11(3,4)9-10(2)12-5/h10,12H,6-9H2,1-5H3.
What are the key properties of 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine?
6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine is sourced from PubChem (CID 106732362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).