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

C9H18N2O2S — CID 103069493

IUPACN'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CN)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O2S/c1-8(5-10)6-11(2)9-3-4-14(12,13)7-9/h9H,1,3-7,10H2,2H3
InChIKeyRSVZFDKTSSSRGJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.38
Rot. Bonds4

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

N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine (PubChem CID 103069493) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
PubChem CID103069493
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CN)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O2S/c1-8(5-10)6-11(2)9-3-4-14(12,13)7-9/h9H,1,3-7,10H2,2H3
InChIKeyRSVZFDKTSSSRGJ-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069495
N'-(1,1-dioxothiolan-3-yl)-N'-methylbut-2-ene-1,4-diamine
CID 77110448
N-[2-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 43648575
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
1-[4-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanol
CID 43648580
N-(4-aminophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylacetamide
CID 43648422
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide
CID 94187187
N'-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62256858
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 55034622
methyl 4-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethyl-3-oxobutanoate
CID 112752233

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine (CID 103069493) is N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine is C=C(CN)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The InChIKey is RSVZFDKTSSSRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-8(5-10)6-11(2)9-3-4-14(12,13)7-9/h9H,1,3-7,10H2,2H3.
What are the key properties of N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine?
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine has a molecular weight of 218.32 g/mol, XLogP of -0.38, 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'-methyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).