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

C14H27NO3S — CID 65116586

IUPAC3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C14H27NO3S/c1-11-5-4-8-14(16,9-11)10-15-12-6-3-7-13(12)19(2,17)18/h11-13,15-16H,3-10H2,1-2H3
InChIKeyNMOCHAWPWKVPQC-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.48
Rot. Bonds4

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

3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65116586) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
PubChem CID65116586
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C14H27NO3S/c1-11-5-4-8-14(16,9-11)10-15-12-6-3-7-13(12)19(2,17)18/h11-13,15-16H,3-10H2,1-2H3
InChIKeyNMOCHAWPWKVPQC-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol (CID 65116586) is 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol is CC1CCCC(O)(CNC2CCCC2S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is NMOCHAWPWKVPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-11-5-4-8-14(16,9-11)10-15-12-6-3-7-13(12)19(2,17)18/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).