N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide

C14H27N3O2S — CID 86786541

IUPACN'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCS(=O)(=O)CC2CCC2)C1
InChIInChI=1S/C14H27N3O2S/c1-12-4-3-8-17(10-12)14(15)16-7-9-20(18,19)11-13-5-2-6-13/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyKNOKPKLXBCWUFR-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.25
Rot. Bonds5

About N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide

N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 86786541) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID86786541
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCS(=O)(=O)CC2CCC2)C1
InChIInChI=1S/C14H27N3O2S/c1-12-4-3-8-17(10-12)14(15)16-7-9-20(18,19)11-13-5-2-6-13/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyKNOKPKLXBCWUFR-UHFFFAOYSA-N
XLogP1.25
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
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

N'-methyl-4-methylsulfonylpiperidine-1-carboximidamide
CID 89374676
N'-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide
CID 62363204
N'-[(1,1-dioxothian-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 75496375
N'-[(1,1-dioxothian-4-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 75496376
N'-[2-(cyclobutylmethylsulfonyl)ethyl]azepane-1-carboximidamide
CID 75501366
N'-[3-[ethylsulfonyl(methyl)amino]propyl]-3-methylpiperidine-1-carboximidamide
CID 75511969
N'-[(1,1-dioxothiolan-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 75513126
N'-[(1,1-dioxothiolan-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 75513127
N'-[(1,1-dioxothian-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 75514096
N'-[(1,1-dioxothian-4-yl)methyl]piperidine-1-carboximidamide
CID 75514097
1-(2-Methylpropyl)-9,9-dioxo-9lambda6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79496465
9,9-Dioxo-1-propan-2-yl-9lambda6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497242

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide (CID 86786541) is N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCS(=O)(=O)CC2CCC2)C1.
What is the InChIKey of N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is KNOKPKLXBCWUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-12-4-3-8-17(10-12)14(15)16-7-9-20(18,19)11-13-5-2-6-13/h12-13H,2-11H2,1H3,(H2,15,16).
What are the key properties of N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide?
N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 301.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 86786541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).