2,4-dimethyl-2-methylsulfonylhexan-3-amine

C9H21NO2S — CID 105017427

IUPAC2,4-dimethyl-2-methylsulfonylhexan-3-amine
SMILESCCC(C)C(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-6-7(2)8(10)9(3,4)13(5,11)12/h7-8H,6,10H2,1-5H3
InChIKeyOGQVBBOPDFGDEC-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.18
Rot. Bonds4

About 2,4-dimethyl-2-methylsulfonylhexan-3-amine

2,4-dimethyl-2-methylsulfonylhexan-3-amine (PubChem CID 105017427) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2,4-dimethyl-2-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-2-methylsulfonylhexan-3-amine
PubChem CID105017427
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2,4-dimethyl-2-methylsulfonylhexan-3-amine
SMILESCCC(C)C(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-6-7(2)8(10)9(3,4)13(5,11)12/h7-8H,6,10H2,1-5H3
InChIKeyOGQVBBOPDFGDEC-UHFFFAOYSA-N
XLogP1.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017343
4-methyl-2-methylsulfonylhexan-3-amine
CID 105017498
4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol
CID 115821815
4-(aminomethyl)-2-methyl-2-methylsulfonylhexan-3-ol
CID 65187700
N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
CID 114978377
(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105282659
N'-(3-methylpentan-2-yl)-1-methylsulfonylmethanimidamide
CID 134201943
1-ethoxy-3-methyl-3-methylsulfonylbutan-2-ol
CID 115818689
2-methyl-2-methylsulfonyl-4-pyridin-2-ylpentan-3-amine
CID 66447009
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
3-methylpentan-2-yl methanesulfonate
CID 89448678
2-methylsulfonylpentan-3-amine
CID 62784392

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-methylsulfonylhexan-3-amine?
The IUPAC name of 2,4-dimethyl-2-methylsulfonylhexan-3-amine (CID 105017427) is 2,4-dimethyl-2-methylsulfonylhexan-3-amine.
What is the SMILES notation for 2,4-dimethyl-2-methylsulfonylhexan-3-amine?
The canonical SMILES for 2,4-dimethyl-2-methylsulfonylhexan-3-amine is CCC(C)C(N)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2,4-dimethyl-2-methylsulfonylhexan-3-amine?
The InChIKey is OGQVBBOPDFGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-6-7(2)8(10)9(3,4)13(5,11)12/h7-8H,6,10H2,1-5H3.
What are the key properties of 2,4-dimethyl-2-methylsulfonylhexan-3-amine?
2,4-dimethyl-2-methylsulfonylhexan-3-amine has a molecular weight of 207.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-methylsulfonylhexan-3-amine is sourced from PubChem (CID 105017427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).