2,2-dimethyl-6-pentylsulfinylhexan-1-amine

C13H29NOS — CID 107766880

IUPAC2,2-dimethyl-6-pentylsulfinylhexan-1-amine
SMILESCCCCCS(=O)CCCCC(C)(C)CN
InChIInChI=1S/C13H29NOS/c1-4-5-7-10-16(15)11-8-6-9-13(2,3)12-14/h4-12,14H2,1-3H3
InChIKeyLYQYOTFZIWCJJL-UHFFFAOYSA-N
MW247.45 g/mol
LogP3.08
Rot. Bonds10

About 2,2-dimethyl-6-pentylsulfinylhexan-1-amine

2,2-dimethyl-6-pentylsulfinylhexan-1-amine (PubChem CID 107766880) has the molecular formula C13H29NOS and a molecular weight of 247.45 g/mol. Its IUPAC name is 2,2-dimethyl-6-pentylsulfinylhexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-pentylsulfinylhexan-1-amine
PubChem CID107766880
Molecular FormulaC13H29NOS
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name2,2-dimethyl-6-pentylsulfinylhexan-1-amine
SMILESCCCCCS(=O)CCCCC(C)(C)CN
InChIInChI=1S/C13H29NOS/c1-4-5-7-10-16(15)11-8-6-9-13(2,3)12-14/h4-12,14H2,1-3H3
InChIKeyLYQYOTFZIWCJJL-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 53.08
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 2,2-dimethyl-6-pentylsulfinylhexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-pentylsulfinylhexan-1-amine (CID 107766880) is 2,2-dimethyl-6-pentylsulfinylhexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-pentylsulfinylhexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-pentylsulfinylhexan-1-amine is CCCCCS(=O)CCCCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-6-pentylsulfinylhexan-1-amine?
The InChIKey is LYQYOTFZIWCJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NOS/c1-4-5-7-10-16(15)11-8-6-9-13(2,3)12-14/h4-12,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-pentylsulfinylhexan-1-amine?
2,2-dimethyl-6-pentylsulfinylhexan-1-amine has a molecular weight of 247.45 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-pentylsulfinylhexan-1-amine is sourced from PubChem (CID 107766880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).