2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine

C12H25NO2S — CID 103710561

IUPAC2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCC1CCCC(C)C1
InChIInChI=1S/C12H25NO2S/c1-3-16(14,15)8-7-13-10-12-6-4-5-11(2)9-12/h11-13H,3-10H2,1-2H3
InChIKeyAWXKNBDNMPMASS-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds6

About 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine

2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 103710561) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
PubChem CID103710561
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCC1CCCC(C)C1
InChIInChI=1S/C12H25NO2S/c1-3-16(14,15)8-7-13-10-12-6-4-5-11(2)9-12/h11-13H,3-10H2,1-2H3
InChIKeyAWXKNBDNMPMASS-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 111558239
N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide
CID 103883917
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
CID 63190759
2-[4-(3-methylcyclohexyl)butylamino]ethanethiol;sulfuric acid
CID 71435984
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165
3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107418219
N-[(3-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090843
2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine
CID 115881224
1-(3-methylcyclohexyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103883987

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine (CID 103710561) is 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine is CCS(=O)(=O)CCNCC1CCCC(C)C1.
What is the InChIKey of 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is AWXKNBDNMPMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-16(14,15)8-7-13-10-12-6-4-5-11(2)9-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine?
2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 103710561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).