1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide

C15H27N3OS — CID 79551703

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
SMILESCSC1(C(N)=NO)CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H27N3OS/c1-20-15(14(16)17-19)4-6-18(7-5-15)10-13-9-11-2-3-12(13)8-11/h11-13,19H,2-10H2,1H3,(H2,16,17)
InChIKeyJJLYFDGBAYDEJI-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.37
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide

1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide (PubChem CID 79551703) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
PubChem CID79551703
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
SMILESCSC1(C(N)=NO)CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H27N3OS/c1-20-15(14(16)17-19)4-6-18(7-5-15)10-13-9-11-2-3-12(13)8-11/h11-13,19H,2-10H2,1H3,(H2,16,17)
InChIKeyJJLYFDGBAYDEJI-UHFFFAOYSA-N
XLogP2.37
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.37
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

2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 79562785
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
N'-hydroxy-4-methylsulfanyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 77108666
N'-hydroxy-1-[(2-methylphenyl)methyl]-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108640
N'-hydroxy-1-[2-(3-methylbutoxy)ethyl]-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108647
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-yl]propanoic acid
CID 116683695
N'-hydroxy-4-methylsulfanyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 77108644
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
CID 79563086
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 79552323
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-bromoethyl)piperidine
CID 106838393

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide (CID 79551703) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide is CSC1(C(N)=NO)CCN(CC2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide?
The InChIKey is JJLYFDGBAYDEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-20-15(14(16)17-19)4-6-18(7-5-15)10-13-9-11-2-3-12(13)8-11/h11-13,19H,2-10H2,1H3,(H2,16,17).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide?
1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide has a molecular weight of 297.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide is sourced from PubChem (CID 79551703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).