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

C8H17ClNO2S- — CID 21179723

IUPACN,N-diethyl-1,1-dioxothiolan-3-amine chloride
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/p-1
InChIKeyNJTNUZWRCPJSOJ-UHFFFAOYSA-M
MW226.75 g/mol
LogP—
Rot. Bonds3

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

N,N-diethyl-1,1-dioxothiolan-3-amine chloride (PubChem CID 21179723) has the molecular formula C8H17ClNO2S- and a molecular weight of 226.75 g/mol. Its IUPAC name is N,N-diethyl-1,1-dioxothiolan-3-amine chloride.

Molecular Properties

Compound NameN,N-diethyl-1,1-dioxothiolan-3-amine chloride
PubChem CID21179723
Molecular FormulaC8H17ClNO2S-
Molecular Weight226.75 g/mol
Exact Mass226.07
IUPAC NameN,N-diethyl-1,1-dioxothiolan-3-amine chloride
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/p-1
InChIKeyNJTNUZWRCPJSOJ-UHFFFAOYSA-M
XLogP—
TPSA45.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity226

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide
CID 2831166
methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate
CID 2831207
Cambridge id 5232381
CID 2835677
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
3-[(Butylthiothioxomethyl)methylamino]thiolane-1,1-dione
CID 2896475
N'-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N,N-diethyl-propane-1,3-diamine hydrochloride
CID 6603363
3-(Diethylamino)-1-hydroxythiolan-1-one
CID 2835678
N-(1,1-dioxidotetrahydrothien-3-yl)-N-propylamine hydrochloride
CID 9551893
3,4-Bis(dimethylamino)thiolane-1,1-dione
CID 3094473
N-butyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)methanesulfonamide
CID 16300330
N,N,N-Trimethyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium iodide
CID 21206492
3-(Piperidin-1-yl)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 45148608

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-dioxothiolan-3-amine chloride?
The IUPAC name of N,N-diethyl-1,1-dioxothiolan-3-amine chloride (CID 21179723) is N,N-diethyl-1,1-dioxothiolan-3-amine chloride.
What is the SMILES notation for N,N-diethyl-1,1-dioxothiolan-3-amine chloride?
The canonical SMILES for N,N-diethyl-1,1-dioxothiolan-3-amine chloride is CCN(CC)C1CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of N,N-diethyl-1,1-dioxothiolan-3-amine chloride?
The InChIKey is NJTNUZWRCPJSOJ-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N,N-diethyl-1,1-dioxothiolan-3-amine chloride?
N,N-diethyl-1,1-dioxothiolan-3-amine chloride has a molecular weight of 226.75 g/mol, XLogP of not available, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-dioxothiolan-3-amine chloride is sourced from PubChem (CID 21179723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).