N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine

C14H29NO2S — CID 104754032

IUPACN-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
SMILESCCCNC(CS(=O)(=O)CCC)C1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-3-10-15-14(12-18(16,17)11-4-2)13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3
InChIKeyMJCUXLURNFQVAI-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds8

About N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine

N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine (PubChem CID 104754032) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
PubChem CID104754032
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
SMILESCCCNC(CS(=O)(=O)CCC)C1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-3-10-15-14(12-18(16,17)11-4-2)13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3
InChIKeyMJCUXLURNFQVAI-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
CID 104754033
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
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
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
CID 104753963
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine?
The IUPAC name of N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine (CID 104754032) is N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine.
What is the SMILES notation for N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine?
The canonical SMILES for N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine is CCCNC(CS(=O)(=O)CCC)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine?
The InChIKey is MJCUXLURNFQVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-3-10-15-14(12-18(16,17)11-4-2)13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine?
N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 104754032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).