N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

C14H22ClN5S — CID 141426691

IUPACN'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCSc1ccc(/N=C(N)/N=C(/N)N2CCCCC2)cc1.Cl
InChIInChI=1S/C14H21N5S.ClH/c1-20-12-7-5-11(6-8-12)17-13(15)18-14(16)19-9-3-2-4-10-19;/h5-8H,2-4,9-10H2,1H3,(H4,15,16,17,18);1H
InChIKeyYOPPOSUVUNMGBV-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.58
Rot. Bonds2

About N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (PubChem CID 141426691) has the molecular formula C14H22ClN5S and a molecular weight of 327.88 g/mol. Its IUPAC name is N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
PubChem CID141426691
Molecular FormulaC14H22ClN5S
Molecular Weight327.88 g/mol
Exact Mass327.13
IUPAC NameN'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCSc1ccc(/N=C(N)/N=C(/N)N2CCCCC2)cc1.Cl
InChIInChI=1S/C14H21N5S.ClH/c1-20-12-7-5-11(6-8-12)17-13(15)18-14(16)19-9-3-2-4-10-19;/h5-8H,2-4,9-10H2,1H3,(H4,15,16,17,18);1H
InChIKeyYOPPOSUVUNMGBV-UHFFFAOYSA-N
XLogP2.58
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154012553
4-[[amino-[(Z)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]benzenesulfonic acid;hydrochloride
CID 156631539
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720633
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 172724102
N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123594208
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 171158004
N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172705203
N'-[N'-(3,5-dimethoxyphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162326479

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (CID 141426691) is N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is CSc1ccc(/N=C(N)/N=C(/N)N2CCCCC2)cc1.Cl.
What is the InChIKey of N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The InChIKey is YOPPOSUVUNMGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S.ClH/c1-20-12-7-5-11(6-8-12)17-13(15)18-14(16)19-9-3-2-4-10-19;/h5-8H,2-4,9-10H2,1H3,(H4,15,16,17,18);1H.
What are the key properties of N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 141426691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).