5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine

C10H23NO2S — CID 65097556

IUPAC5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)(C)CNC
InChIInChI=1S/C10H23NO2S/c1-5-14(12,13)8-6-7-10(2,3)9-11-4/h11H,5-9H2,1-4H3
InChIKeyHPFXKZNJBHEIRD-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.45
Rot. Bonds7

About 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine

5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine (PubChem CID 65097556) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
PubChem CID65097556
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)(C)CNC
InChIInChI=1S/C10H23NO2S/c1-5-14(12,13)8-6-7-10(2,3)9-11-4/h11H,5-9H2,1-4H3
InChIKeyHPFXKZNJBHEIRD-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol
CID 66039843
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 83147780
N,2,2-trimethyloctan-1-amine
CID 62723717
6-ethylsulfonyl-3,3-dimethyl-N-propylhexan-1-amine
CID 81022072
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
4-chloro-N-(3-ethylsulfonylpropyl)-2,2-dimethylbutan-1-amine
CID 106140512
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640549
2,2-dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
CID 62724939
5-ethylsulfonyl-2,2-dimethylpentanenitrile
CID 65263387

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine (CID 65097556) is 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine is CCS(=O)(=O)CCCC(C)(C)CNC.
What is the InChIKey of 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine?
The InChIKey is HPFXKZNJBHEIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-14(12,13)8-6-7-10(2,3)9-11-4/h11H,5-9H2,1-4H3.
What are the key properties of 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine?
5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine is sourced from PubChem (CID 65097556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).