4-methyl-2-methylsulfonylhexan-3-amine

C8H19NO2S — CID 105017498

IUPAC4-methyl-2-methylsulfonylhexan-3-amine
SMILESCCC(C)C(N)C(C)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-5-6(2)8(9)7(3)12(4,10)11/h6-8H,5,9H2,1-4H3
InChIKeyQGSHAZDFSBNRJN-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.79
Rot. Bonds4

About 4-methyl-2-methylsulfonylhexan-3-amine

4-methyl-2-methylsulfonylhexan-3-amine (PubChem CID 105017498) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name4-methyl-2-methylsulfonylhexan-3-amine
PubChem CID105017498
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name4-methyl-2-methylsulfonylhexan-3-amine
SMILESCCC(C)C(N)C(C)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-5-6(2)8(9)7(3)12(4,10)11/h6-8H,5,9H2,1-4H3
InChIKeyQGSHAZDFSBNRJN-UHFFFAOYSA-N
XLogP0.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonylpentan-3-amine
CID 62784392
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
(4R)-2,4-dimethylhexan-3-amine
CID 59252919
4-methylhexane-2,3-diamine
CID 123983512
2,4-dimethylhexan-3-amine;ethane
CID 143534901
3-methylsulfonyl-1-propan-2-yloxybutan-2-amine
CID 105013343
2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017427
ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane
CID 123222761
3-methylpentan-2-ylsulfonyl 3-methylpentane-2-sulfonate
CID 87941815
6-ethylsulfonyl-2-methylsulfonylhexan-3-amine
CID 115865472
3-methylpentan-2-yl methanesulfonate
CID 89448678
O-(1-methylsulfonylpropyl)hydroxylamine
CID 118626332

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonylhexan-3-amine?
The IUPAC name of 4-methyl-2-methylsulfonylhexan-3-amine (CID 105017498) is 4-methyl-2-methylsulfonylhexan-3-amine.
What is the SMILES notation for 4-methyl-2-methylsulfonylhexan-3-amine?
The canonical SMILES for 4-methyl-2-methylsulfonylhexan-3-amine is CCC(C)C(N)C(C)S(C)(=O)=O.
What is the InChIKey of 4-methyl-2-methylsulfonylhexan-3-amine?
The InChIKey is QGSHAZDFSBNRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-6(2)8(9)7(3)12(4,10)11/h6-8H,5,9H2,1-4H3.
What are the key properties of 4-methyl-2-methylsulfonylhexan-3-amine?
4-methyl-2-methylsulfonylhexan-3-amine has a molecular weight of 193.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonylhexan-3-amine is sourced from PubChem (CID 105017498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).