3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine

C8H17NOS — CID 104859809

IUPAC3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine
SMILESCC1CC(NCCS(C)=O)C1
InChIInChI=1S/C8H17NOS/c1-7-5-8(6-7)9-3-4-11(2)10/h7-9H,3-6H2,1-2H3
InChIKeyLRPLTYBDUFHJNT-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.75
Rot. Bonds4

About 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine

3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine (PubChem CID 104859809) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine
PubChem CID104859809
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine
SMILESCC1CC(NCCS(C)=O)C1
InChIInChI=1S/C8H17NOS/c1-7-5-8(6-7)9-3-4-11(2)10/h7-9H,3-6H2,1-2H3
InChIKeyLRPLTYBDUFHJNT-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine
CID 115903468
1-cyclopropyl-5-methyl-N-(2-methylsulfinylethyl)pyrrolidin-3-amine
CID 115720797
3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine
CID 115720794
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine
CID 115907336
2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
CID 102672329
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
CID 65093543
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine (CID 104859809) is 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine is CC1CC(NCCS(C)=O)C1.
What is the InChIKey of 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine?
The InChIKey is LRPLTYBDUFHJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7-5-8(6-7)9-3-4-11(2)10/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine?
3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine is sourced from PubChem (CID 104859809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).