hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride

C5H12ClNO2S — CID 134523058

IUPAChydron;3-methyl-1,1-dioxothiolan-3-amine;chloride
SMILESCC1(N)CCS(=O)(=O)C1.[Cl-].[H+]
InChIInChI=1S/C5H11NO2S.ClH/c1-5(6)2-3-9(7,8)4-5;/h2-4,6H2,1H3;1H
InChIKeyQXTFWVCBUONAOS-UHFFFAOYSA-N
MW185.68 g/mol
LogP-3.36
Rot. Bonds

About hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride

hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride (PubChem CID 134523058) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride.

Molecular Properties

Compound Namehydron;3-methyl-1,1-dioxothiolan-3-amine;chloride
PubChem CID134523058
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Namehydron;3-methyl-1,1-dioxothiolan-3-amine;chloride
SMILESCC1(N)CCS(=O)(=O)C1.[Cl-].[H+]
InChIInChI=1S/C5H11NO2S.ClH/c1-5(6)2-3-9(7,8)4-5;/h2-4,6H2,1H3;1H
InChIKeyQXTFWVCBUONAOS-UHFFFAOYSA-N
XLogP-3.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride?
The IUPAC name of hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride (CID 134523058) is hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride.
What is the SMILES notation for hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride?
The canonical SMILES for hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride is CC1(N)CCS(=O)(=O)C1.[Cl-].[H+].
What is the InChIKey of hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride?
The InChIKey is QXTFWVCBUONAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-5(6)2-3-9(7,8)4-5;/h2-4,6H2,1H3;1H.
What are the key properties of hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride?
hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride has a molecular weight of 185.68 g/mol, XLogP of -3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;3-methyl-1,1-dioxothiolan-3-amine;chloride is sourced from PubChem (CID 134523058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).