4-(2-methylsulfonylethylamino)cyclohexan-1-ol

C9H19NO3S — CID 70946592

IUPAC4-(2-methylsulfonylethylamino)cyclohexan-1-ol
SMILESCS(=O)(=O)CCNC1CCC(O)CC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-8-2-4-9(11)5-3-8/h8-11H,2-7H2,1H3
InChIKeyWLRUCCQLQZISSV-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds4

About 4-(2-methylsulfonylethylamino)cyclohexan-1-ol

4-(2-methylsulfonylethylamino)cyclohexan-1-ol (PubChem CID 70946592) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylsulfonylethylamino)cyclohexan-1-ol
PubChem CID70946592
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(2-methylsulfonylethylamino)cyclohexan-1-ol
SMILESCS(=O)(=O)CCNC1CCC(O)CC1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-8-2-4-9(11)5-3-8/h8-11H,2-7H2,1H3
InChIKeyWLRUCCQLQZISSV-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylamino)cyclohexan-1-ol?
The IUPAC name of 4-(2-methylsulfonylethylamino)cyclohexan-1-ol (CID 70946592) is 4-(2-methylsulfonylethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylsulfonylethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylsulfonylethylamino)cyclohexan-1-ol is CS(=O)(=O)CCNC1CCC(O)CC1.
What is the InChIKey of 4-(2-methylsulfonylethylamino)cyclohexan-1-ol?
The InChIKey is WLRUCCQLQZISSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-8-2-4-9(11)5-3-8/h8-11H,2-7H2,1H3.
What are the key properties of 4-(2-methylsulfonylethylamino)cyclohexan-1-ol?
4-(2-methylsulfonylethylamino)cyclohexan-1-ol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylamino)cyclohexan-1-ol is sourced from PubChem (CID 70946592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).