N-methyl-1,1-dioxothiolan-3-amine;hydrochloride

C5H12ClNO2S — CID 2770817

IUPACN-methyl-1,1-dioxothiolan-3-amine;hydrochloride
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
InChIKeyVCMVJUKSMDLDPE-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.19
Rot. Bonds1

About N-methyl-1,1-dioxothiolan-3-amine;hydrochloride

N-methyl-1,1-dioxothiolan-3-amine;hydrochloride (PubChem CID 2770817) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-methyl-1,1-dioxothiolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1,1-dioxothiolan-3-amine;hydrochloride
PubChem CID2770817
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-methyl-1,1-dioxothiolan-3-amine;hydrochloride
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
InChIKeyVCMVJUKSMDLDPE-UHFFFAOYSA-N
XLogP-0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.19
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;hydrochloride?
The IUPAC name of N-methyl-1,1-dioxothiolan-3-amine;hydrochloride (CID 2770817) is N-methyl-1,1-dioxothiolan-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1,1-dioxothiolan-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1,1-dioxothiolan-3-amine;hydrochloride is CNC1CCS(=O)(=O)C1.Cl.
What is the InChIKey of N-methyl-1,1-dioxothiolan-3-amine;hydrochloride?
The InChIKey is VCMVJUKSMDLDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of N-methyl-1,1-dioxothiolan-3-amine;hydrochloride?
N-methyl-1,1-dioxothiolan-3-amine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of -0.19, 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;hydrochloride is sourced from PubChem (CID 2770817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).