3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol

C13H25NO3S — CID 103914206

IUPAC3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCCC1NCC1CCCC(O)C1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)13-7-3-6-12(13)14-9-10-4-2-5-11(15)8-10/h10-15H,2-9H2,1H3
InChIKeyLTOYBCVJRVTMIS-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.09
Rot. Bonds4

About 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol

3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol (PubChem CID 103914206) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
PubChem CID103914206
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCCC1NCC1CCCC(O)C1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)13-7-3-6-12(13)14-9-10-4-2-5-11(15)8-10/h10-15H,2-9H2,1H3
InChIKeyLTOYBCVJRVTMIS-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(3S)-2-methylpiperidin-3-yl]-1-methylsulfonylbutan-2-ol
CID 138485413
2-[(3-Methylsulfonylpropylamino)methyl]cyclohexan-1-ol
CID 64911358
2-[(1-Methylsulfonylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 64928110
2-[[(1,1-Dioxothiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 64928258
2-[[(2-Methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65046022
4-[(2-Methylsulfonylcyclopentyl)amino]cyclohexan-1-ol
CID 65046328
[1-(Cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol
CID 65049673
1-[[(2-Methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65107544
3-Methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116586
4-[(1-Hydroxy-3-methylcyclohexyl)methylamino]-1,1-dioxothiolan-3-ol
CID 65120736
2-[[(2-Methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65832602
2-[[(1,1-Dioxothian-3-yl)amino]methyl]cyclopentan-1-ol
CID 65834373

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol (CID 103914206) is 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol is CS(=O)(=O)C1CCCC1NCC1CCCC(O)C1.
What is the InChIKey of 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is LTOYBCVJRVTMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-18(16,17)13-7-3-6-12(13)14-9-10-4-2-5-11(15)8-10/h10-15H,2-9H2,1H3.
What are the key properties of 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 275.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103914206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).