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

C8H18N2O2S — CID 112686407

IUPAC1-methyl-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-7-2-4-8(5-3-7)6-10-13(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyDTXQSGTUIQEFQB-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.61
Rot. Bonds3

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

1-methyl-4-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 112686407) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-4-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(sulfamoylamino)methyl]cyclohexane
PubChem CID112686407
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-methyl-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-7-2-4-8(5-3-7)6-10-13(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyDTXQSGTUIQEFQB-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.61
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)methyl]cyclohexane?
The IUPAC name of 1-methyl-4-[(sulfamoylamino)methyl]cyclohexane (CID 112686407) is 1-methyl-4-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[(sulfamoylamino)methyl]cyclohexane is CC1CCC(CNS(N)(=O)=O)CC1.
What is the InChIKey of 1-methyl-4-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is DTXQSGTUIQEFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7-2-4-8(5-3-7)6-10-13(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 1-methyl-4-[(sulfamoylamino)methyl]cyclohexane?
1-methyl-4-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 206.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 112686407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).