[1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol

C12H25NO3S — CID 65092788

IUPAC[1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol
SMILESCCS(=O)(=O)CCCNC1(CO)CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-17(15,16)10-6-9-13-12(11-14)7-4-3-5-8-12/h13-14H,2-11H2,1H3
InChIKeyGRCOFGGHPWBBLI-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.10
Rot. Bonds7

About [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol

[1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol (PubChem CID 65092788) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol
PubChem CID65092788
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name[1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol
SMILESCCS(=O)(=O)CCCNC1(CO)CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-17(15,16)10-6-9-13-12(11-14)7-4-3-5-8-12/h13-14H,2-11H2,1H3
InChIKeyGRCOFGGHPWBBLI-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.10
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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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol?
The IUPAC name of [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol (CID 65092788) is [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol is CCS(=O)(=O)CCCNC1(CO)CCCCC1.
What is the InChIKey of [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol?
The InChIKey is GRCOFGGHPWBBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-17(15,16)10-6-9-13-12(11-14)7-4-3-5-8-12/h13-14H,2-11H2,1H3.
What are the key properties of [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol?
[1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol has a molecular weight of 263.40 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfonylpropylamino)cyclohexyl]methanol is sourced from PubChem (CID 65092788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).