N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine

C9H19NO2S — CID 59656303

IUPACN-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(C1CCS(=O)(=O)C1)C(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-9(2,3)10(4)8-5-6-13(11,12)7-8/h8H,5-7H2,1-4H3
InChIKeyGHSPQEXYRDITDN-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.90
Rot. Bonds1

About N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine

N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 59656303) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID59656303
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(C1CCS(=O)(=O)C1)C(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-9(2,3)10(4)8-5-6-13(11,12)7-8/h8H,5-7H2,1-4H3
InChIKeyGHSPQEXYRDITDN-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine (CID 59656303) is N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine is CN(C1CCS(=O)(=O)C1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is GHSPQEXYRDITDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)10(4)8-5-6-13(11,12)7-8/h8H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine?
N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 205.32 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 59656303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).