N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide

C14H26N4OS — CID 110046837

IUPACN,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)NCC1(C)CCCS1
InChIInChI=1S/C14H26N4OS/c1-5-8-15-13(16-10-12(19)18(3)4)17-11-14(2)7-6-9-20-14/h5H,1,6-11H2,2-4H3,(H2,15,16,17)
InChIKeyYTVKTNNGMIVZRG-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.08
Rot. Bonds6

About N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide (PubChem CID 110046837) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide
PubChem CID110046837
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)NCC1(C)CCCS1
InChIInChI=1S/C14H26N4OS/c1-5-8-15-13(16-10-12(19)18(3)4)17-11-14(2)7-6-9-20-14/h5H,1,6-11H2,2-4H3,(H2,15,16,17)
InChIKeyYTVKTNNGMIVZRG-UHFFFAOYSA-N
XLogP1.08
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(2-methoxyethylamino)-[(2-methylthiolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110046829
N,N-dimethyl-2-[[[(1-methylcycloheptyl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 110036202
2-[[(butan-2-ylamino)-[(2-methylthiolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046844
2-[[[(1-ethylcyclobutyl)methylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043590
N,N-dimethyl-2-[[[(1-phenylcyclopentyl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111363744
2-[[(cyclopentylamino)-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110991975
2-[[(cyclopentylamino)-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110991974
N,N-dimethyl-2-[[(2-piperidin-1-ylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide
CID 111364813
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111343722
2-[[[(2-cyclohexyl-2-methylpropyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036998
N,N-dimethyl-2-[[(4-methylsulfanylbutylamino)-(prop-2-enylamino)methylidene]amino]acetamide
CID 111627682
2-[[[(2-tert-butyloxan-3-yl)methylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111623604

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide (CID 110046837) is N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide is C=CCN/C(=N\CC(=O)N(C)C)NCC1(C)CCCS1.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide?
The InChIKey is YTVKTNNGMIVZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-5-8-15-13(16-10-12(19)18(3)4)17-11-14(2)7-6-9-20-14/h5H,1,6-11H2,2-4H3,(H2,15,16,17).
What are the key properties of N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide has a molecular weight of 298.46 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110046837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).