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

C12H22N2O2S — CID 103069495

IUPACN-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC1CC1)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O2S/c1-10(7-13-11-3-4-11)8-14(2)12-5-6-17(15,16)9-12/h11-13H,1,3-9H2,2H3
InChIKeyXZKZSZMWGPJVBA-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.41
Rot. Bonds6

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

N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine (PubChem CID 103069495) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
PubChem CID103069495
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC1CC1)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O2S/c1-10(7-13-11-3-4-11)8-14(2)12-5-6-17(15,16)9-12/h11-13H,1,3-9H2,2H3
InChIKeyXZKZSZMWGPJVBA-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069493
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 60671834
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 62427777
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide
CID 94187187
N-cyclopentyl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069362
methyl 4-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethyl-3-oxobutanoate
CID 112752233
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793246
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-methylprop-2-enyl)thiourea
CID 16564052

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine (CID 103069495) is N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine is C=C(CNC1CC1)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine?
The InChIKey is XZKZSZMWGPJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-10(7-13-11-3-4-11)8-14(2)12-5-6-17(15,16)9-12/h11-13H,1,3-9H2,2H3.
What are the key properties of N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine?
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine has a molecular weight of 258.39 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).