3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol

C13H26N2O3S — CID 80561478

IUPAC3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC2(O)CCCC(N)C2)C1
InChIInChI=1S/C13H26N2O3S/c1-19(17,18)15-7-3-4-11(10-15)8-13(16)6-2-5-12(14)9-13/h11-12,16H,2-10,14H2,1H3
InChIKeyIIBCJNDPSAWDPZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.68
Rot. Bonds3

About 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol

3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol (PubChem CID 80561478) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
PubChem CID80561478
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC2(O)CCCC(N)C2)C1
InChIInChI=1S/C13H26N2O3S/c1-19(17,18)15-7-3-4-11(10-15)8-13(16)6-2-5-12(14)9-13/h11-12,16H,2-10,14H2,1H3
InChIKeyIIBCJNDPSAWDPZ-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502
3-[(1-methylsulfonylpiperidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79612923
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79620255
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79620250
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281
3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine
CID 79612932

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol (CID 80561478) is 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol is CS(=O)(=O)N1CCCC(CC2(O)CCCC(N)C2)C1.
What is the InChIKey of 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is IIBCJNDPSAWDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-19(17,18)15-7-3-4-11(10-15)8-13(16)6-2-5-12(14)9-13/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 80561478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).