N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide

C15H30N4S — CID 119156808

IUPACN-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1(N(C)C)CCSC1)N1CCCC(C)C1
InChIInChI=1S/C15H30N4S/c1-13-6-5-8-19(10-13)14(16-2)17-11-15(18(3)4)7-9-20-12-15/h13H,5-12H2,1-4H3,(H,16,17)
InChIKeyKSGRIGKBIRZEIB-UHFFFAOYSA-N
MW298.50 g/mol
LogP1.73
Rot. Bonds3

About N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide

N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide (PubChem CID 119156808) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
PubChem CID119156808
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1(N(C)C)CCSC1)N1CCCC(C)C1
InChIInChI=1S/C15H30N4S/c1-13-6-5-8-19(10-13)14(16-2)17-11-15(18(3)4)7-9-20-12-15/h13H,5-12H2,1-4H3,(H,16,17)
InChIKeyKSGRIGKBIRZEIB-UHFFFAOYSA-N
XLogP1.73
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 119156780
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119157675
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine
CID 119157534
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 119157533
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N'-methyl-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 119156914
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N'-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 119156926
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143425
N-[2-[cyclohexyl(methyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143840
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine;hydroiodide
CID 119157662
N',3-dimethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111510801
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 119143498
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 119146428

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide (CID 119156808) is N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide is C/N=C(\NCC1(N(C)C)CCSC1)N1CCCC(C)C1.
What is the InChIKey of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide?
The InChIKey is KSGRIGKBIRZEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-13-6-5-8-19(10-13)14(16-2)17-11-15(18(3)4)7-9-20-12-15/h13H,5-12H2,1-4H3,(H,16,17).
What are the key properties of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide?
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide has a molecular weight of 298.50 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 119156808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).