N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide

C12H26N4O2S — CID 111066435

IUPACN'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide
SMILESCCS(=O)(=O)N(C)CCC/N=C(\N)N1CCCCC1
InChIInChI=1S/C12H26N4O2S/c1-3-19(17,18)15(2)9-7-8-14-12(13)16-10-5-4-6-11-16/h3-11H2,1-2H3,(H2,13,14)
InChIKeyIRWORIQVTJJIMX-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.46
Rot. Bonds6

About N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide

N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide (PubChem CID 111066435) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide
PubChem CID111066435
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC NameN'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide
SMILESCCS(=O)(=O)N(C)CCC/N=C(\N)N1CCCCC1
InChIInChI=1S/C12H26N4O2S/c1-3-19(17,18)15(2)9-7-8-14-12(13)16-10-5-4-6-11-16/h3-11H2,1-2H3,(H2,13,14)
InChIKeyIRWORIQVTJJIMX-UHFFFAOYSA-N
XLogP0.46
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide (CID 111066435) is N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide is CCS(=O)(=O)N(C)CCC/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide?
The InChIKey is IRWORIQVTJJIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-3-19(17,18)15(2)9-7-8-14-12(13)16-10-5-4-6-11-16/h3-11H2,1-2H3,(H2,13,14).
What are the key properties of N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide?
N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide has a molecular weight of 290.43 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111066435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).