1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine

C12H25NO2S — CID 114980816

IUPAC1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(C1CCCCC1)C(C)S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-4-13-12(10(2)16(3,14)15)11-8-6-5-7-9-11/h10-13H,4-9H2,1-3H3
InChIKeyPGFUBMSTNBCCKX-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds5

About 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine

1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine (PubChem CID 114980816) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine
PubChem CID114980816
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(C1CCCCC1)C(C)S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-4-13-12(10(2)16(3,14)15)11-8-6-5-7-9-11/h10-13H,4-9H2,1-3H3
InChIKeyPGFUBMSTNBCCKX-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-methyl-2-methylsulfonylpropan-1-amine
CID 114981438
(1-cyclopentyl-2-methylsulfonylpropyl)hydrazine
CID 105282447
1-cyclohexyl-2-cyclopropyl-N-ethylpropan-1-amine
CID 114981084
1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine
CID 105049538
2-cyclopropyl-N-ethyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 105014208
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066
1-cyclopentyl-N-ethylethanamine
CID 60819244
1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
CID 62601414
1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine
CID 116717006
1-cyclooctyl-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66447758
1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
CID 104753963

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine (CID 114980816) is 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine is CCNC(C1CCCCC1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is PGFUBMSTNBCCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-13-12(10(2)16(3,14)15)11-8-6-5-7-9-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine?
1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 114980816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).