1-methyl-4-(sulfamoylamino)cyclohexane

C7H16N2O2S — CID 68545910

IUPAC1-methyl-4-(sulfamoylamino)cyclohexane
SMILESCC1CCC(NS(N)(=O)=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-6-2-4-7(5-3-6)9-12(8,10)11/h6-7,9H,2-5H2,1H3,(H2,8,10,11)
InChIKeyUBMHVNBDOCHWCR-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.36
Rot. Bonds2

About 1-methyl-4-(sulfamoylamino)cyclohexane

1-methyl-4-(sulfamoylamino)cyclohexane (PubChem CID 68545910) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-methyl-4-(sulfamoylamino)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(sulfamoylamino)cyclohexane
PubChem CID68545910
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-methyl-4-(sulfamoylamino)cyclohexane
SMILESCC1CCC(NS(N)(=O)=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-6-2-4-7(5-3-6)9-12(8,10)11/h6-7,9H,2-5H2,1H3,(H2,8,10,11)
InChIKeyUBMHVNBDOCHWCR-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(sulfamoylamino)cyclohexane?
The IUPAC name of 1-methyl-4-(sulfamoylamino)cyclohexane (CID 68545910) is 1-methyl-4-(sulfamoylamino)cyclohexane.
What is the SMILES notation for 1-methyl-4-(sulfamoylamino)cyclohexane?
The canonical SMILES for 1-methyl-4-(sulfamoylamino)cyclohexane is CC1CCC(NS(N)(=O)=O)CC1.
What is the InChIKey of 1-methyl-4-(sulfamoylamino)cyclohexane?
The InChIKey is UBMHVNBDOCHWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6-2-4-7(5-3-6)9-12(8,10)11/h6-7,9H,2-5H2,1H3,(H2,8,10,11).
What are the key properties of 1-methyl-4-(sulfamoylamino)cyclohexane?
1-methyl-4-(sulfamoylamino)cyclohexane has a molecular weight of 192.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(sulfamoylamino)cyclohexane is sourced from PubChem (CID 68545910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).