[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol

C13H27NO3S — CID 65092789

IUPAC[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol
SMILESCCS(=O)(=O)CCCNC1(CO)CCC(C)CC1
InChIInChI=1S/C13H27NO3S/c1-3-18(16,17)10-4-9-14-13(11-15)7-5-12(2)6-8-13/h12,14-15H,3-11H2,1-2H3
InChIKeyFISNPRHFEXUEKQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.34
Rot. Bonds7

About [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol

[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol (PubChem CID 65092789) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol
PubChem CID65092789
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol
SMILESCCS(=O)(=O)CCCNC1(CO)CCC(C)CC1
InChIInChI=1S/C13H27NO3S/c1-3-18(16,17)10-4-9-14-13(11-15)7-5-12(2)6-8-13/h12,14-15H,3-11H2,1-2H3
InChIKeyFISNPRHFEXUEKQ-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(heptylamino)-4-methylcyclohexyl]methanol
CID 55086742
[4-methyl-1-(octylamino)cyclohexyl]methanol
CID 63476632
N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
CID 62526005
[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol
CID 62552501
6-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
CID 106709283
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
CID 103581413
1-[1-(dimethylamino)-4-methylcyclohexyl]-4-ethylsulfonylbutan-1-one
CID 79066171
N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 62526516
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
1-(3-hydroxypropylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114989050

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol (CID 65092789) is [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol is CCS(=O)(=O)CCCNC1(CO)CCC(C)CC1.
What is the InChIKey of [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol?
The InChIKey is FISNPRHFEXUEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-3-18(16,17)10-4-9-14-13(11-15)7-5-12(2)6-8-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol?
[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol has a molecular weight of 277.43 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 65092789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).