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

C15H30N2O3S — CID 79620255

IUPAC4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
SMILESCCNC1CCC(O)(CC2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-16-14-6-8-15(18,9-7-14)11-13-5-4-10-17(12-13)21(2,19)20/h13-14,16,18H,3-12H2,1-2H3
InChIKeyMTDNWBINSGYLEL-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.33
Rot. Bonds5

About 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol

4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol (PubChem CID 79620255) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
PubChem CID79620255
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
SMILESCCNC1CCC(O)(CC2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-16-14-6-8-15(18,9-7-14)11-13-5-4-10-17(12-13)21(2,19)20/h13-14,16,18H,3-12H2,1-2H3
InChIKeyMTDNWBINSGYLEL-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.33
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-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478
3-[(1-methylsulfonylpiperidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79612923
3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
CID 116539806
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
N-ethyl-1-methylsulfonylazepan-3-amine
CID 121359011
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol (CID 79620255) is 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol is CCNC1CCC(O)(CC2CCCN(S(C)(=O)=O)C2)CC1.
What is the InChIKey of 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is MTDNWBINSGYLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-16-14-6-8-15(18,9-7-14)11-13-5-4-10-17(12-13)21(2,19)20/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol?
4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 318.48 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79620255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).