(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine

C6H13NO2S — CID 7211727

IUPAC(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine
SMILESCN(C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyHHOQXOUQXSMWDD-LURJTMIESA-N
MW163.24 g/mol
LogP-0.26
Rot. Bonds1

About (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine

(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine (PubChem CID 7211727) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine
PubChem CID7211727
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine
SMILESCN(C)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyHHOQXOUQXSMWDD-LURJTMIESA-N
XLogP-0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-Nitrosomethylamino)sulfolan
CID 25810
N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide
CID 2831166
Cambridge id 5232381
CID 2835677
Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate
CID 4318230
Butyl (1,1-dioxidotetrahydro-3-thienyl)methyldithiocarbamate
CID 2896475
Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide
CID 2736805
3-(Diethylamino)-1-hydroxythiolan-1-one
CID 2835678
n-(1,1-Dioxo-1lambda6-thiolan-3-yl)-n-methylsulfamoyl chloride
CID 43648696
3,4-Bis(dimethylamino)thiolane-1,1-dione
CID 3094473
(1,1-Dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate
CID 3113013
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-methylmethanesulfonamide
CID 18573645
N-ethyl-N-mesyl[(S)-1,1-dioxo-1lambda-tetrahydro-3H-thien-3-yl]amine
CID 40487937

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine (CID 7211727) is (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine is CN(C)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine?
The InChIKey is HHOQXOUQXSMWDD-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine?
(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine has a molecular weight of 163.24 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 7211727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).