ethane;4-methylazepane-1-sulfonamide

C9H22N2O2S — CID 143556058

IUPACethane;4-methylazepane-1-sulfonamide
SMILESCC.CC1CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H16N2O2S.C2H6/c1-7-3-2-5-9(6-4-7)12(8,10)11;1-2/h7H,2-6H2,1H3,(H2,8,10,11);1-2H3
InChIKeyKDTPUJBAOXYGGV-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.34
Rot. Bonds1

About ethane;4-methylazepane-1-sulfonamide

ethane;4-methylazepane-1-sulfonamide (PubChem CID 143556058) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is ethane;4-methylazepane-1-sulfonamide.

Molecular Properties

Compound Nameethane;4-methylazepane-1-sulfonamide
PubChem CID143556058
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Nameethane;4-methylazepane-1-sulfonamide
SMILESCC.CC1CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H16N2O2S.C2H6/c1-7-3-2-5-9(6-4-7)12(8,10)11;1-2/h7H,2-6H2,1H3,(H2,8,10,11);1-2H3
InChIKeyKDTPUJBAOXYGGV-UHFFFAOYSA-N
XLogP1.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methylazepane-1-sulfonamide?
The IUPAC name of ethane;4-methylazepane-1-sulfonamide (CID 143556058) is ethane;4-methylazepane-1-sulfonamide.
What is the SMILES notation for ethane;4-methylazepane-1-sulfonamide?
The canonical SMILES for ethane;4-methylazepane-1-sulfonamide is CC.CC1CCCN(S(N)(=O)=O)CC1.
What is the InChIKey of ethane;4-methylazepane-1-sulfonamide?
The InChIKey is KDTPUJBAOXYGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.C2H6/c1-7-3-2-5-9(6-4-7)12(8,10)11;1-2/h7H,2-6H2,1H3,(H2,8,10,11);1-2H3.
What are the key properties of ethane;4-methylazepane-1-sulfonamide?
ethane;4-methylazepane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylazepane-1-sulfonamide is sourced from PubChem (CID 143556058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).