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

C6H14ClNO2S — CID 52997270

IUPACN,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCN(C)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-7(2)6-3-4-10(8,9)5-6;/h6H,3-5H2,1-2H3;1H
InChIKeyLMVMIZMMWNATLK-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.16
Rot. Bonds1

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

N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride (PubChem CID 52997270) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
PubChem CID52997270
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCN(C)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-7(2)6-3-4-10(8,9)5-6;/h6H,3-5H2,1-2H3;1H
InChIKeyLMVMIZMMWNATLK-UHFFFAOYSA-N
XLogP0.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride (CID 52997270) is N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride is CN(C)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The InChIKey is LMVMIZMMWNATLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-7(2)6-3-4-10(8,9)5-6;/h6H,3-5H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride?
N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride is sourced from PubChem (CID 52997270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).