1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine

C12H23NO2S — CID 115820245

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)C1CC2CC2C1
InChIInChI=1S/C12H23NO2S/c1-13-12(4-3-5-16(2,14)15)11-7-9-6-10(9)8-11/h9-13H,3-8H2,1-2H3
InChIKeyKFHIYWLSKPMDOB-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.45
Rot. Bonds6

About 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine

1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 115820245) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine
PubChem CID115820245
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)C1CC2CC2C1
InChIInChI=1S/C12H23NO2S/c1-13-12(4-3-5-16(2,14)15)11-7-9-6-10(9)8-11/h9-13H,3-8H2,1-2H3
InChIKeyKFHIYWLSKPMDOB-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bicyclo[3.1.0]hexanyl)-4-methylsulfonylbutyl]hydrazine
CID 105290867
1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106727336
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
N-methyl-1-(5-methyloxolan-3-yl)-3-methylsulfonylpropan-1-amine
CID 115848731
4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine
CID 106727298
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
1-(2-adamantyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820654
4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine
CID 115643065
N-ethyl-4-methylsulfonyl-1-(oxan-4-yl)butan-1-amine
CID 65334712
4-cyclopropyl-N-methyl-1-methylsulfonylpentan-3-amine
CID 115848542

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine (CID 115820245) is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine is CNC(CCCS(C)(=O)=O)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is KFHIYWLSKPMDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-13-12(4-3-5-16(2,14)15)11-7-9-6-10(9)8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine?
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 115820245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).