ethane;thiazepane 1,1-dioxide

C7H17NO2S — CID 91261809

IUPACethane;thiazepane 1,1-dioxide
SMILESCC.O=S1(=O)CCCCCN1
InChIInChI=1S/C5H11NO2S.C2H6/c7-9(8)5-3-1-2-4-6-9;1-2/h6H,1-5H2;1-2H3
InChIKeyJGDVZIYRWNTWQO-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.12
Rot. Bonds

About ethane;thiazepane 1,1-dioxide

ethane;thiazepane 1,1-dioxide (PubChem CID 91261809) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is ethane;thiazepane 1,1-dioxide.

Molecular Properties

Compound Nameethane;thiazepane 1,1-dioxide
PubChem CID91261809
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Nameethane;thiazepane 1,1-dioxide
SMILESCC.O=S1(=O)CCCCCN1
InChIInChI=1S/C5H11NO2S.C2H6/c7-9(8)5-3-1-2-4-6-9;1-2/h6H,1-5H2;1-2H3
InChIKeyJGDVZIYRWNTWQO-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-pentylethanesulfonamide
CID 3613996
N-heptylethanesulfonamide
CID 4087735
N-hexylethanesulfonamide
CID 5147507
N-hexyl propanesulfonamide
CID 12894655
1lambda6,2-Thiazepane-1,1-dione
CID 13776003
N-pentylpentane-1-sulfonamide
CID 19021564
N-hexylhexane-1-sulfonamide
CID 19021574
N-butylpropane-2-sulfonamide
CID 19431086
N-hexylbutane-1-sulfonamide
CID 19681253

Frequently Asked Questions

What is the IUPAC name of ethane;thiazepane 1,1-dioxide?
The IUPAC name of ethane;thiazepane 1,1-dioxide (CID 91261809) is ethane;thiazepane 1,1-dioxide.
What is the SMILES notation for ethane;thiazepane 1,1-dioxide?
The canonical SMILES for ethane;thiazepane 1,1-dioxide is CC.O=S1(=O)CCCCCN1.
What is the InChIKey of ethane;thiazepane 1,1-dioxide?
The InChIKey is JGDVZIYRWNTWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.C2H6/c7-9(8)5-3-1-2-4-6-9;1-2/h6H,1-5H2;1-2H3.
What are the key properties of ethane;thiazepane 1,1-dioxide?
ethane;thiazepane 1,1-dioxide has a molecular weight of 179.28 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;thiazepane 1,1-dioxide is sourced from PubChem (CID 91261809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).