4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol

C11H21F3N2O3S — CID 114809570

IUPAC4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O3S/c1-9(2)3-5-10(17,6-4-9)7-15-20(18,19)16-8-11(12,13)14/h15-17H,3-8H2,1-2H3
InChIKeyNZSNNYVJMJBJEH-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.30
Rot. Bonds5

About 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol (PubChem CID 114809570) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol
PubChem CID114809570
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O3S/c1-9(2)3-5-10(17,6-4-9)7-15-20(18,19)16-8-11(12,13)14/h15-17H,3-8H2,1-2H3
InChIKeyNZSNNYVJMJBJEH-UHFFFAOYSA-N
XLogP1.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol (CID 114809570) is 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol?
The InChIKey is NZSNNYVJMJBJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c1-9(2)3-5-10(17,6-4-9)7-15-20(18,19)16-8-11(12,13)14/h15-17H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol has a molecular weight of 318.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 114809570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).