4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol

C10H21NO3S — CID 64630099

IUPAC4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol
SMILESCC(CS(C)(=O)=O)NC1CCC(O)CC1
InChIInChI=1S/C10H21NO3S/c1-8(7-15(2,13)14)11-9-3-5-10(12)6-4-9/h8-12H,3-7H2,1-2H3
InChIKeyYERJTIDAPMIBPL-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.31
Rot. Bonds4

About 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol

4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol (PubChem CID 64630099) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol
PubChem CID64630099
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol
SMILESCC(CS(C)(=O)=O)NC1CCC(O)CC1
InChIInChI=1S/C10H21NO3S/c1-8(7-15(2,13)14)11-9-3-5-10(12)6-4-9/h8-12H,3-7H2,1-2H3
InChIKeyYERJTIDAPMIBPL-UHFFFAOYSA-N
XLogP0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol (CID 64630099) is 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol is CC(CS(C)(=O)=O)NC1CCC(O)CC1.
What is the InChIKey of 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol?
The InChIKey is YERJTIDAPMIBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(7-15(2,13)14)11-9-3-5-10(12)6-4-9/h8-12H,3-7H2,1-2H3.
What are the key properties of 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol?
4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpropan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 64630099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).