1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane

C8H15F3N2O2S — CID 175947647

IUPAC1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
SMILESNS(=O)(=O)NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7-3-1-6(2-4-7)5-13-16(12,14)15/h6-7,13H,1-5H2,(H2,12,14,15)
InChIKeyQOSRMVCTJWOBRJ-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.15
Rot. Bonds3

About 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane

1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane (PubChem CID 175947647) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
PubChem CID175947647
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
SMILESNS(=O)(=O)NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7-3-1-6(2-4-7)5-13-16(12,14)15/h6-7,13H,1-5H2,(H2,12,14,15)
InChIKeyQOSRMVCTJWOBRJ-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane (CID 175947647) is 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane is NS(=O)(=O)NCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane?
The InChIKey is QOSRMVCTJWOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)7-3-1-6(2-4-7)5-13-16(12,14)15/h6-7,13H,1-5H2,(H2,12,14,15).
What are the key properties of 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane?
1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane has a molecular weight of 260.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 175947647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).