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

C13H27NO3S — CID 103966488

IUPAC[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
SMILESCCS(=O)(=O)CCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO3S/c1-2-18(16,17)10-6-9-14-11-13(12-15)7-4-3-5-8-13/h14-15H,2-12H2,1H3
InChIKeyFPCHGPHDNBQGHH-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.34
Rot. Bonds8

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

[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol (PubChem CID 103966488) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
PubChem CID103966488
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
SMILESCCS(=O)(=O)CCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO3S/c1-2-18(16,17)10-6-9-14-11-13(12-15)7-4-3-5-8-13/h14-15H,2-12H2,1H3
InChIKeyFPCHGPHDNBQGHH-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
N-[[1-(3-ethylsulfonylpropyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 65097230
1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
CID 65194813
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol (CID 103966488) is [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol is CCS(=O)(=O)CCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol?
The InChIKey is FPCHGPHDNBQGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-2-18(16,17)10-6-9-14-11-13(12-15)7-4-3-5-8-13/h14-15H,2-12H2,1H3.
What are the key properties of [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol?
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol has a molecular weight of 277.43 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).