cyclohexene;sulfamide

C6H14N2O2S — CID 158136226

IUPACcyclohexene;sulfamide
SMILESC1=CCCCC1.NS(N)(=O)=O
InChIInChI=1S/C6H10.H4N2O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-2H,3-6H2;(H4,1,2,3,4)
InChIKeyFTJNWUCVIREOAO-UHFFFAOYSA-N
MW178.26 g/mol
LogP0.27
Rot. Bonds

About cyclohexene;sulfamide

cyclohexene;sulfamide (PubChem CID 158136226) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is cyclohexene;sulfamide.

Molecular Properties

Compound Namecyclohexene;sulfamide
PubChem CID158136226
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Namecyclohexene;sulfamide
SMILESC1=CCCCC1.NS(N)(=O)=O
InChIInChI=1S/C6H10.H4N2O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-2H,3-6H2;(H4,1,2,3,4)
InChIKeyFTJNWUCVIREOAO-UHFFFAOYSA-N
XLogP0.27
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E,7E)-cyclododeca-1,7-diene
CID 6477773
cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(5Z)-cyclodeca-1,5-diene
CID 97293620
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadeca-1,7-diene
CID 154173092
cyclohexane;sulfamide
CID 70396830
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
cyclooctene;oxophosphane
CID 174400607
(5E)-cyclotetradeca-1,5-diene
CID 173030551

Frequently Asked Questions

What is the IUPAC name of cyclohexene;sulfamide?
The IUPAC name of cyclohexene;sulfamide (CID 158136226) is cyclohexene;sulfamide.
What is the SMILES notation for cyclohexene;sulfamide?
The canonical SMILES for cyclohexene;sulfamide is C1=CCCCC1.NS(N)(=O)=O.
What is the InChIKey of cyclohexene;sulfamide?
The InChIKey is FTJNWUCVIREOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.H4N2O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-2H,3-6H2;(H4,1,2,3,4).
What are the key properties of cyclohexene;sulfamide?
cyclohexene;sulfamide has a molecular weight of 178.26 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;sulfamide is sourced from PubChem (CID 158136226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).