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

C6H13NO2S — CID 7039215

IUPAC(3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine
SMILESCN[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyBCKXDHUGBHITAS-ZCFIWIBFSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds1

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

(3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine (PubChem CID 7039215) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine
PubChem CID7039215
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine
SMILESCN[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyBCKXDHUGBHITAS-ZCFIWIBFSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine (CID 7039215) is (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine is CN[C@]1(C)CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine?
The InChIKey is BCKXDHUGBHITAS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine?
(3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine has a molecular weight of 163.24 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,3-dimethyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 7039215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).