N-methyl-1,1-dioxothiolan-3-amine chloride

C5H11ClNO2S- — CID 21206462

IUPACN-methyl-1,1-dioxothiolan-3-amine chloride
SMILESCNC1CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H/p-1
InChIKeyVCMVJUKSMDLDPE-UHFFFAOYSA-M
MW184.67 g/mol
LogP-3.60
Rot. Bonds1

About N-methyl-1,1-dioxothiolan-3-amine chloride

N-methyl-1,1-dioxothiolan-3-amine chloride (PubChem CID 21206462) has the molecular formula C5H11ClNO2S- and a molecular weight of 184.67 g/mol. Its IUPAC name is N-methyl-1,1-dioxothiolan-3-amine chloride.

Molecular Properties

Compound NameN-methyl-1,1-dioxothiolan-3-amine chloride
PubChem CID21206462
Molecular FormulaC5H11ClNO2S-
Molecular Weight184.67 g/mol
Exact Mass184.02
IUPAC NameN-methyl-1,1-dioxothiolan-3-amine chloride
SMILESCNC1CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H/p-1
InChIKeyVCMVJUKSMDLDPE-UHFFFAOYSA-M
XLogP-3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 5-3.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxothiolan-3-amine chloride?
The IUPAC name of N-methyl-1,1-dioxothiolan-3-amine chloride (CID 21206462) is N-methyl-1,1-dioxothiolan-3-amine chloride.
What is the SMILES notation for N-methyl-1,1-dioxothiolan-3-amine chloride?
The canonical SMILES for N-methyl-1,1-dioxothiolan-3-amine chloride is CNC1CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of N-methyl-1,1-dioxothiolan-3-amine chloride?
The InChIKey is VCMVJUKSMDLDPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H/p-1.
What are the key properties of N-methyl-1,1-dioxothiolan-3-amine chloride?
N-methyl-1,1-dioxothiolan-3-amine chloride has a molecular weight of 184.67 g/mol, XLogP of -3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxothiolan-3-amine chloride is sourced from PubChem (CID 21206462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).