N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide

C13H24N4O2S — CID 79155123

IUPACN'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide
SMILESCSC1(C(N)=NO)CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N4O2S/c1-20-13(11(14)15-19)5-9-17(10-6-13)12(18)16-7-3-2-4-8-16/h19H,2-10H2,1H3,(H2,14,15)
InChIKeyMVUIURULPVIFOP-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.54
Rot. Bonds2

About N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide (PubChem CID 79155123) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide
PubChem CID79155123
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide
SMILESCSC1(C(N)=NO)CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N4O2S/c1-20-13(11(14)15-19)5-9-17(10-6-13)12(18)16-7-3-2-4-8-16/h19H,2-10H2,1H3,(H2,14,15)
InChIKeyMVUIURULPVIFOP-UHFFFAOYSA-N
XLogP1.54
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(N'-hydroxycarbamimidoyl)-N,N-dimethyl-4-methylsulfanylpiperidine-1-carboxamide
CID 79153764
N-tert-butyl-4-(N'-hydroxycarbamimidoyl)-4-methylsulfanylpiperidine-1-carboxamide
CID 77108995
N'-hydroxy-1-(2-methoxyacetyl)-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108950
1-hexanoyl-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108952
N'-hydroxy-4-methylsulfanyl-1-(pyridine-4-carbonyl)piperidine-4-carboximidamide
CID 77108928
1-(3-chloro-4-methylthiophene-2-carbonyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 103405034
1-(furan-3-carbonyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108781
phenyl 4-(N'-hydroxycarbamimidoyl)-4-methylsulfanylpiperidine-1-carboxylate
CID 77108996
N'-hydroxy-4-methylsulfanyl-1-[3-(oxolan-2-yl)propanoyl]piperidine-4-carboximidamide
CID 77108607
N'-hydroxy-4-methylsulfanyl-1-(pyrazine-2-carbonyl)piperidine-4-carboximidamide
CID 77108813
1-(2-chlorofuran-3-carbonyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 106689355
1-(5-ethylfuran-2-carbonyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 79086148

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide (CID 79155123) is N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide is CSC1(C(N)=NO)CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide?
The InChIKey is MVUIURULPVIFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-20-13(11(14)15-19)5-9-17(10-6-13)12(18)16-7-3-2-4-8-16/h19H,2-10H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide has a molecular weight of 300.43 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 79155123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).