1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol

C9H19NO3S — CID 148934710

IUPAC1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(O)(CCN)CC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)8-2-4-9(11,5-3-8)6-7-10/h8,11H,2-7,10H2,1H3
InChIKeyPMPZDQSGMICHJY-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.05
Rot. Bonds3

About 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol

1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol (PubChem CID 148934710) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol
PubChem CID148934710
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(O)(CCN)CC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)8-2-4-9(11,5-3-8)6-7-10/h8,11H,2-7,10H2,1H3
InChIKeyPMPZDQSGMICHJY-UHFFFAOYSA-N
XLogP0.05
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol?
The IUPAC name of 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol (CID 148934710) is 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol is CS(=O)(=O)C1CCC(O)(CCN)CC1.
What is the InChIKey of 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol?
The InChIKey is PMPZDQSGMICHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(12,13)8-2-4-9(11,5-3-8)6-7-10/h8,11H,2-7,10H2,1H3.
What are the key properties of 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol?
1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol has a molecular weight of 221.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 148934710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).