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

C8H18ClNO2S — CID 2835677

IUPACN,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCCN(CC)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-3-9(4-2)8-5-6-12(10,11)7-8;/h8H,3-7H2,1-2H3;1H
InChIKeyNJTNUZWRCPJSOJ-UHFFFAOYSA-N
MW227.76 g/mol
LogP0.94
Rot. Bonds3

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

N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride (PubChem CID 2835677) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride
PubChem CID2835677
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC NameN,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCCN(CC)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-3-9(4-2)8-5-6-12(10,11)7-8;/h8H,3-7H2,1-2H3;1H
InChIKeyNJTNUZWRCPJSOJ-UHFFFAOYSA-N
XLogP0.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The IUPAC name of N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride (CID 2835677) is N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride is CCN(CC)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The InChIKey is NJTNUZWRCPJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-3-9(4-2)8-5-6-12(10,11)7-8;/h8H,3-7H2,1-2H3;1H.
What are the key properties of N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride?
N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-dioxothiolan-3-amine;hydrochloride is sourced from PubChem (CID 2835677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).