1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

C13H20N2O2S — CID 115376309

IUPAC1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NC2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C13H20N2O2S/c1-15(2)13-7-3-5-11(9-13)14-12-6-4-8-18(16,17)10-12/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3
InChIKeySPMOAWUUTQYPHB-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.74
Rot. Bonds3

About 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115376309) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115376309
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NC2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C13H20N2O2S/c1-15(2)13-7-3-5-11(9-13)14-12-6-4-8-18(16,17)10-12/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3
InChIKeySPMOAWUUTQYPHB-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-(3-propoxyphenyl)thian-3-amine
CID 63909303
N-(1,1-dioxothian-3-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63911451
2-[3-[(1,1-dioxothian-3-yl)amino]phenoxy]-N-methylacetamide
CID 63911838
N-[4-methyl-3-(trifluoromethyl)phenyl]-1,1-dioxothian-3-amine
CID 63924016
3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 115375907
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399
4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
CID 64794825
N-(1,1-dioxothian-3-yl)quinoxalin-6-amine
CID 63923027
N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
1-N-(3-aminocyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376113
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
4-[(1,1-dioxothian-3-yl)amino]-2-methylbenzoic acid
CID 81282203

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115376309) is 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(NC2CCCS(=O)(=O)C2)c1.
What is the InChIKey of 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is SPMOAWUUTQYPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(2)13-7-3-5-11(9-13)14-12-6-4-8-18(16,17)10-12/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3.
What are the key properties of 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 268.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothian-3-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).