1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol

C12H25NO3S — CID 106723861

IUPAC1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol
SMILESCCCS(=O)(=O)CCNCC1(O)CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-9-17(15,16)10-8-13-11-12(14)6-4-3-5-7-12/h13-14H,2-11H2,1H3
InChIKeyKAWKFAOVGVSVPU-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.10
Rot. Bonds7

About 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol

1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol (PubChem CID 106723861) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol
PubChem CID106723861
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol
SMILESCCCS(=O)(=O)CCNCC1(O)CCCCC1
InChIInChI=1S/C12H25NO3S/c1-2-9-17(15,16)10-8-13-11-12(14)6-4-3-5-7-12/h13-14H,2-11H2,1H3
InChIKeyKAWKFAOVGVSVPU-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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Related Compounds

1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106723533
1-[[2-(diethylamino)ethylamino]methyl]cycloheptan-1-ol
CID 60710659
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[[2-(dimethylamino)ethylamino]methyl]cyclopentan-1-ol
CID 65109208
N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 106730080
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357
1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
CID 106452596
3-[(1-hydroxycyclohexyl)methylamino]propanamide
CID 60909908
1-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol (CID 106723861) is 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol is CCCS(=O)(=O)CCNCC1(O)CCCCC1.
What is the InChIKey of 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is KAWKFAOVGVSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-2-9-17(15,16)10-8-13-11-12(14)6-4-3-5-7-12/h13-14H,2-11H2,1H3.
What are the key properties of 1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol?
1-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol 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-[(2-propylsulfonylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106723861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).