2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine

C11H25NOS — CID 106714804

IUPAC2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine
SMILESCC(C)S(=O)CCCCC(C)(C)CN
InChIInChI=1S/C11H25NOS/c1-10(2)14(13)8-6-5-7-11(3,4)9-12/h10H,5-9,12H2,1-4H3
InChIKeyWLMTZJITUPCQPJ-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.30
Rot. Bonds7

About 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine

2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine (PubChem CID 106714804) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine
PubChem CID106714804
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine
SMILESCC(C)S(=O)CCCCC(C)(C)CN
InChIInChI=1S/C11H25NOS/c1-10(2)14(13)8-6-5-7-11(3,4)9-12/h10H,5-9,12H2,1-4H3
InChIKeyWLMTZJITUPCQPJ-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.30
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-propan-2-ylsulfinylhexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine (CID 106714804) is 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine is CC(C)S(=O)CCCCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine?
The InChIKey is WLMTZJITUPCQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-10(2)14(13)8-6-5-7-11(3,4)9-12/h10H,5-9,12H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine?
2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-propan-2-ylsulfinylhexan-1-amine is sourced from PubChem (CID 106714804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).