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

C9H20N2O2S — CID 112687372

IUPAC1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCCC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-8-3-5-9(6-4-8)7-11-14(10,12)13/h8-9,11H,2-7H2,1H3,(H2,10,12,13)
InChIKeyBJGNJRHHGMCYMY-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.00
Rot. Bonds4

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

1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 112687372) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane
PubChem CID112687372
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCCC1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-2-8-3-5-9(6-4-8)7-11-14(10,12)13/h8-9,11H,2-7H2,1H3,(H2,10,12,13)
InChIKeyBJGNJRHHGMCYMY-UHFFFAOYSA-N
XLogP1.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane (CID 112687372) is 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane is CCC1CCC(CNS(N)(=O)=O)CC1.
What is the InChIKey of 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is BJGNJRHHGMCYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-8-3-5-9(6-4-8)7-11-14(10,12)13/h8-9,11H,2-7H2,1H3,(H2,10,12,13).
What are the key properties of 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane?
1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 220.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 112687372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).