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

C9H20N2O2S — CID 63909084

IUPACN-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O2S/c1-11(2)6-5-10-9-4-3-7-14(12,13)8-9/h9-10H,3-8H2,1-2H3
InChIKeyAWPOTCWZGCFSEN-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.29
Rot. Bonds4

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

N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 63909084) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID63909084
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O2S/c1-11(2)6-5-10-9-4-3-7-14(12,13)8-9/h9-10H,3-8H2,1-2H3
InChIKeyAWPOTCWZGCFSEN-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide
CID 63923725
N-nonyl-1,1-dioxothian-3-amine
CID 63923728
N-(3-methylbut-3-enyl)-1,1-dioxothian-3-amine
CID 114472310
methyl 3-[(1,1-dioxothian-3-yl)amino]propanoate
CID 63910873
2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
CID 83006949
2-[(1,1-dioxothian-3-yl)amino]ethanesulfonamide
CID 63911062
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 62556064
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 62558264
N-(2,2-difluoroethyl)-1,1-dioxothian-3-amine
CID 63922755

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine (CID 63909084) is N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is AWPOTCWZGCFSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-11(2)6-5-10-9-4-3-7-14(12,13)8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 220.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63909084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).