6-ethylsulfinyl-2,2-dimethylhexan-1-amine

C10H23NOS — CID 106714790

IUPAC6-ethylsulfinyl-2,2-dimethylhexan-1-amine
SMILESCCS(=O)CCCCC(C)(C)CN
InChIInChI=1S/C10H23NOS/c1-4-13(12)8-6-5-7-10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyLHHYPVSNCYDLRA-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.91
Rot. Bonds7

About 6-ethylsulfinyl-2,2-dimethylhexan-1-amine

6-ethylsulfinyl-2,2-dimethylhexan-1-amine (PubChem CID 106714790) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 6-ethylsulfinyl-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-ethylsulfinyl-2,2-dimethylhexan-1-amine
PubChem CID106714790
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name6-ethylsulfinyl-2,2-dimethylhexan-1-amine
SMILESCCS(=O)CCCCC(C)(C)CN
InChIInChI=1S/C10H23NOS/c1-4-13(12)8-6-5-7-10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyLHHYPVSNCYDLRA-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine
CID 112566615
6-Ethyl-6-methyl-1-oxothiepan-2-amine
CID 91153225
(2R)-2-methyl-2-propylsulfinyldecan-1-amine
CID 150457506
5,5-Dimethyl-6-methylsulfanylhexan-1-amine
CID 164118441
6-Ethylsulfonyl-2,2-dimethylhexan-3-amine
CID 61057473
[1-(2-Ethylsulfonylethyl)cyclopentyl]methanamine
CID 62725091
2-Methyl-2-(2-methylsulfonylethyl)pentan-1-amine
CID 62725898
2-(2-Ethylsulfonylethyl)-2-methylpentan-1-amine
CID 62726102
2-Ethyl-2-(2-methylsulfonylethyl)hexan-1-amine
CID 62726318
2-Ethyl-2-(2-ethylsulfonylethyl)hexan-1-amine
CID 62726319
2,2-Dimethyl-5-methylsulfonylpentan-1-amine
CID 63195833
2-Methyl-5-methylsulfonyl-2-propylpentan-1-amine
CID 63195923

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfinyl-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-ethylsulfinyl-2,2-dimethylhexan-1-amine (CID 106714790) is 6-ethylsulfinyl-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-ethylsulfinyl-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-ethylsulfinyl-2,2-dimethylhexan-1-amine is CCS(=O)CCCCC(C)(C)CN.
What is the InChIKey of 6-ethylsulfinyl-2,2-dimethylhexan-1-amine?
The InChIKey is LHHYPVSNCYDLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-13(12)8-6-5-7-10(2,3)9-11/h4-9,11H2,1-3H3.
What are the key properties of 6-ethylsulfinyl-2,2-dimethylhexan-1-amine?
6-ethylsulfinyl-2,2-dimethylhexan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfinyl-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106714790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).