1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide

C13H25N3O2S — CID 107162815

IUPAC1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H25N3O2S/c1-13(12(14)15)7-9-16(10-8-13)19(17,18)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H3,14,15)
InChIKeyDLXHUSYFFALHSC-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.69
Rot. Bonds3

About 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide

1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide (PubChem CID 107162815) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide
PubChem CID107162815
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H25N3O2S/c1-13(12(14)15)7-9-16(10-8-13)19(17,18)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H3,14,15)
InChIKeyDLXHUSYFFALHSC-UHFFFAOYSA-N
XLogP1.69
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
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

1-cyclohexylsulfonyl-4-methylazepan-4-ol
CID 107406961
methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 107162799
1-(3,3-dimethylbutylsulfonyl)-4-methylpiperidine-4-carboximidamide
CID 107162830
1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
CID 114191294
1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide
CID 107162078
4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
CID 107162744
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide
CID 107162798
4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide
CID 107162003
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide
CID 107161984
1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide
CID 105361944
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
1-heptyl-4-methylpiperidine-4-carboximidamide
CID 107161963

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide (CID 107162815) is 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide?
The InChIKey is DLXHUSYFFALHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-13(12(14)15)7-9-16(10-8-13)19(17,18)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H3,14,15).
What are the key properties of 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide?
1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide has a molecular weight of 287.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).