N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine

C8H18N2O2S — CID 3131596

IUPACN-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O2S/c1-10(2)5-4-9-8-3-6-13(11,12)7-8/h8-9H,3-7H2,1-2H3
InChIKeyGOWLRXOPUKQNAO-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.68
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine

N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 3131596) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID3131596
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O2S/c1-10(2)5-4-9-8-3-6-13(11,12)7-8/h8-9H,3-7H2,1-2H3
InChIKeyGOWLRXOPUKQNAO-UHFFFAOYSA-N
XLogP-0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine (CID 3131596) is N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GOWLRXOPUKQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10(2)5-4-9-8-3-6-13(11,12)7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 206.31 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 3131596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).