2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide

C7H14N2O2S — CID 117014276

IUPAC2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide
SMILESC=CCN1CCNCCS1(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-2-5-9-6-3-8-4-7-12(9,10)11/h2,8H,1,3-7H2
InChIKeyYSWXYBWWVDWMBD-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.59
Rot. Bonds2

About 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide

2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 117014276) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID117014276
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide
SMILESC=CCN1CCNCCS1(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-2-5-9-6-3-8-4-7-12(9,10)11/h2,8H,1,3-7H2
InChIKeyYSWXYBWWVDWMBD-UHFFFAOYSA-N
XLogP-0.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015143
2-propyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015208
3-[(1,1-dioxo-1,2,5-thiadiazepan-2-yl)methyl]phenol
CID 115101053
2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine
CID 117015150
2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015233
5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015264
2-(3-methoxypropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015148
1,1-dioxo-2-prop-2-enyl-4,5-dihydro-3H-1λ6,2,5-benzothiadiazepin-8-amine
CID 117015660
2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015219
1-oct-7-enylpiperazine
CID 67041339
2-pyrrolidin-2-yl-1,2,5-thiadiazepane 1,1-dioxide
CID 115101005

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide (CID 117014276) is 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide is C=CCN1CCNCCS1(=O)=O.
What is the InChIKey of 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is YSWXYBWWVDWMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-2-5-9-6-3-8-4-7-12(9,10)11/h2,8H,1,3-7H2.
What are the key properties of 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide?
2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 190.27 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 117014276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).