4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride

C6H15Cl2NO2S — CID 134690752

IUPAC4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride
SMILESCN(C)CCCCS(=O)(=O)Cl.Cl
InChIInChI=1S/C6H14ClNO2S.ClH/c1-8(2)5-3-4-6-11(7,9)10;/h3-6H2,1-2H3;1H
InChIKeyJZUVJMAWPULGTI-UHFFFAOYSA-N
MW236.16 g/mol
LogP1.32
Rot. Bonds5

About 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride

4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride (PubChem CID 134690752) has the molecular formula C6H15Cl2NO2S and a molecular weight of 236.16 g/mol. Its IUPAC name is 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride
PubChem CID134690752
Molecular FormulaC6H15Cl2NO2S
Molecular Weight236.16 g/mol
Exact Mass235.02
IUPAC Name4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride
SMILESCN(C)CCCCS(=O)(=O)Cl.Cl
InChIInChI=1S/C6H14ClNO2S.ClH/c1-8(2)5-3-4-6-11(7,9)10;/h3-6H2,1-2H3;1H
InChIKeyJZUVJMAWPULGTI-UHFFFAOYSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride?
The IUPAC name of 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride (CID 134690752) is 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride?
The canonical SMILES for 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride is CN(C)CCCCS(=O)(=O)Cl.Cl.
What is the InChIKey of 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride?
The InChIKey is JZUVJMAWPULGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S.ClH/c1-8(2)5-3-4-6-11(7,9)10;/h3-6H2,1-2H3;1H.
What are the key properties of 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride?
4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride has a molecular weight of 236.16 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butane-1-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 134690752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).