4-methylazepane-1-sulfonyl chloride

C7H14ClNO2S — CID 63622582

IUPAC4-methylazepane-1-sulfonyl chloride
SMILESCC1CCCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H14ClNO2S/c1-7-3-2-5-9(6-4-7)12(8,10)11/h7H,2-6H2,1H3
InChIKeyGHYPOXCKJHYPLA-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.59
Rot. Bonds1

About 4-methylazepane-1-sulfonyl chloride

4-methylazepane-1-sulfonyl chloride (PubChem CID 63622582) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 4-methylazepane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-methylazepane-1-sulfonyl chloride
PubChem CID63622582
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name4-methylazepane-1-sulfonyl chloride
SMILESCC1CCCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H14ClNO2S/c1-7-3-2-5-9(6-4-7)12(8,10)11/h7H,2-6H2,1H3
InChIKeyGHYPOXCKJHYPLA-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-ylazepane-1-sulfonamide
CID 56790974
3-Propylpyrrolidine-1-sulfonyl chloride
CID 59581698
4-Methyl-1-sulfanylazepane
CID 124000496
Ethane;4-methylazepane-1-sulfonamide
CID 143556058
3-Ethylpiperidine-1-sulfonyl chloride
CID 43584404
4-Methylazepane-1-sulfonamide
CID 62046834
4-Propylazepane-1-sulfonamide
CID 62076528
4-Ethylazepane-1-sulfonyl chloride
CID 64353761
4-Propylazepane-1-sulfonyl chloride
CID 64353762
4-Propan-2-ylazepane-1-sulfonyl chloride
CID 64353763
4-Tert-butylazepane-1-sulfonyl chloride
CID 64353764
4-Ethylazepane-1-sulfonamide
CID 64364294

Frequently Asked Questions

What is the IUPAC name of 4-methylazepane-1-sulfonyl chloride?
The IUPAC name of 4-methylazepane-1-sulfonyl chloride (CID 63622582) is 4-methylazepane-1-sulfonyl chloride.
What is the SMILES notation for 4-methylazepane-1-sulfonyl chloride?
The canonical SMILES for 4-methylazepane-1-sulfonyl chloride is CC1CCCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-methylazepane-1-sulfonyl chloride?
The InChIKey is GHYPOXCKJHYPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-7-3-2-5-9(6-4-7)12(8,10)11/h7H,2-6H2,1H3.
What are the key properties of 4-methylazepane-1-sulfonyl chloride?
4-methylazepane-1-sulfonyl chloride has a molecular weight of 211.71 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylazepane-1-sulfonyl chloride is sourced from PubChem (CID 63622582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).