1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide

C13H25N3O3S — CID 77041332

IUPAC1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(S(=O)(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H25N3O3S/c14-13(15-17)12-7-4-8-16(9-12)20(18,19)10-11-5-2-1-3-6-11/h11-12,17H,1-10H2,(H2,14,15)
InChIKeyFOFGBUGSGHIXDV-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.35
Rot. Bonds4

About 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide

1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041332) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041332
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(S(=O)(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H25N3O3S/c14-13(15-17)12-7-4-8-16(9-12)20(18,19)10-11-5-2-1-3-6-11/h11-12,17H,1-10H2,(H2,14,15)
InChIKeyFOFGBUGSGHIXDV-UHFFFAOYSA-N
XLogP1.35
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.35
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

1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041761
1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
CID 104928900
1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol
CID 138381986
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide
CID 90924048
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068595
[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
CID 128512728
1-(4-bromophenyl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041493

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041332) is 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide is NC(=NO)C1CCCN(S(=O)(=O)CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is FOFGBUGSGHIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c14-13(15-17)12-7-4-8-16(9-12)20(18,19)10-11-5-2-1-3-6-11/h11-12,17H,1-10H2,(H2,14,15).
What are the key properties of 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 303.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).