5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine

C11H25NOS — CID 115720775

IUPAC5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCCS(C)=O
InChIInChI=1S/C11H25NOS/c1-5-10(3)9-11(6-2)12-7-8-14(4)13/h10-12H,5-9H2,1-4H3
InChIKeyBMOXAEVQDRYOFY-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.17
Rot. Bonds8

About 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine

5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine (PubChem CID 115720775) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine
PubChem CID115720775
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCCS(C)=O
InChIInChI=1S/C11H25NOS/c1-5-10(3)9-11(6-2)12-7-8-14(4)13/h10-12H,5-9H2,1-4H3
InChIKeyBMOXAEVQDRYOFY-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
CID 97070215
cis-(1R,3S)-N-[(3R)-3-[(S)-methylsulfinyl]butyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99577333
N-(2-ethylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844728
N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844737
N-(3-methylsulfinylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844738
N-(4-methylsulfinylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844805
N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844809
N-(2-methylsulfinylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844818
N-(3-methylsulfinylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 110209329
N-(1-methylsulfinylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460023
N-(3-methylsulfinylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 113487314
N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 113490412

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine?
The IUPAC name of 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine (CID 115720775) is 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine.
What is the SMILES notation for 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine?
The canonical SMILES for 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine is CCC(C)CC(CC)NCCS(C)=O.
What is the InChIKey of 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine?
The InChIKey is BMOXAEVQDRYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-10(3)9-11(6-2)12-7-8-14(4)13/h10-12H,5-9H2,1-4H3.
What are the key properties of 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine?
5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine has a molecular weight of 219.39 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine is sourced from PubChem (CID 115720775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).