1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine

C14H27NO2S — CID 115820353

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1C2CCCC21
InChIInChI=1S/C14H27NO2S/c1-3-9-15-13(8-5-10-18(2,16)17)14-11-6-4-7-12(11)14/h11-15H,3-10H2,1-2H3
InChIKeyLAUXURHPGXTJRB-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.23
Rot. Bonds8

About 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine

1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine (PubChem CID 115820353) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
PubChem CID115820353
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)C1C2CCCC21
InChIInChI=1S/C14H27NO2S/c1-3-9-15-13(8-5-10-18(2,16)17)14-11-6-4-7-12(11)14/h11-15H,3-10H2,1-2H3
InChIKeyLAUXURHPGXTJRB-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 107188047
1-(1,1-dioxothian-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820861
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
CID 116771861
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine
CID 115832332
1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 79092505
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509
1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820297

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine (CID 115820353) is 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(C)(=O)=O)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine?
The InChIKey is LAUXURHPGXTJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-3-9-15-13(8-5-10-18(2,16)17)14-11-6-4-7-12(11)14/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine?
1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 115820353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).