N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine

C13H27NO2S — CID 105027602

IUPACN-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)C1CCCCCC1
InChIInChI=1S/C13H27NO2S/c1-3-10-14-13(11-17(2,15)16)12-8-6-4-5-7-9-12/h12-14H,3-11H2,1-2H3
InChIKeySULURTHQXDQPCI-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds6

About N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine

N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine (PubChem CID 105027602) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
PubChem CID105027602
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)C1CCCCCC1
InChIInChI=1S/C13H27NO2S/c1-3-10-14-13(11-17(2,15)16)12-8-6-4-5-7-9-12/h12-14H,3-11H2,1-2H3
InChIKeySULURTHQXDQPCI-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032
1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
CID 112690220
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine
CID 64674734
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfonylacetamide
CID 114231996
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine?
The IUPAC name of N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine (CID 105027602) is N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine.
What is the SMILES notation for N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine?
The canonical SMILES for N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine is CCCNC(CS(C)(=O)=O)C1CCCCCC1.
What is the InChIKey of N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine?
The InChIKey is SULURTHQXDQPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-3-10-14-13(11-17(2,15)16)12-8-6-4-5-7-9-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine?
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 105027602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).