cyclopropylsulfonyl(trimethyl)azanium chloride

C6H14ClNO2S — CID 10420312

IUPACcyclopropylsulfonyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)S(=O)(=O)C1CC1.[Cl-]
InChIInChI=1S/C6H14NO2S.ClH/c1-7(2,3)10(8,9)6-4-5-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyLVIHHQBPNSVGHL-UHFFFAOYSA-M
MW199.70 g/mol
LogP-2.81
Rot. Bonds2

About cyclopropylsulfonyl(trimethyl)azanium chloride

cyclopropylsulfonyl(trimethyl)azanium chloride (PubChem CID 10420312) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is cyclopropylsulfonyl(trimethyl)azanium chloride.

Molecular Properties

Compound Namecyclopropylsulfonyl(trimethyl)azanium chloride
PubChem CID10420312
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Namecyclopropylsulfonyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)S(=O)(=O)C1CC1.[Cl-]
InChIInChI=1S/C6H14NO2S.ClH/c1-7(2,3)10(8,9)6-4-5-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyLVIHHQBPNSVGHL-UHFFFAOYSA-M
XLogP-2.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 5-2.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylsulfonyl(trimethyl)azanium chloride?
The IUPAC name of cyclopropylsulfonyl(trimethyl)azanium chloride (CID 10420312) is cyclopropylsulfonyl(trimethyl)azanium chloride.
What is the SMILES notation for cyclopropylsulfonyl(trimethyl)azanium chloride?
The canonical SMILES for cyclopropylsulfonyl(trimethyl)azanium chloride is C[N+](C)(C)S(=O)(=O)C1CC1.[Cl-].
What is the InChIKey of cyclopropylsulfonyl(trimethyl)azanium chloride?
The InChIKey is LVIHHQBPNSVGHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14NO2S.ClH/c1-7(2,3)10(8,9)6-4-5-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of cyclopropylsulfonyl(trimethyl)azanium chloride?
cyclopropylsulfonyl(trimethyl)azanium chloride has a molecular weight of 199.70 g/mol, XLogP of -2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylsulfonyl(trimethyl)azanium chloride is sourced from PubChem (CID 10420312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).