N'-(benzenesulfonyl)piperidine-1-carboximidamide

C12H17N3O2S — CID 75092022

IUPACN'-(benzenesulfonyl)piperidine-1-carboximidamide
SMILESNC(=NS(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C12H17N3O2S/c13-12(15-9-5-2-6-10-15)14-18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,13,14)
InChIKeyKMMUWYBJNCAIFY-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.18
Rot. Bonds2

About N'-(benzenesulfonyl)piperidine-1-carboximidamide

N'-(benzenesulfonyl)piperidine-1-carboximidamide (PubChem CID 75092022) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N'-(benzenesulfonyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)piperidine-1-carboximidamide
PubChem CID75092022
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN'-(benzenesulfonyl)piperidine-1-carboximidamide
SMILESNC(=NS(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C12H17N3O2S/c13-12(15-9-5-2-6-10-15)14-18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,13,14)
InChIKeyKMMUWYBJNCAIFY-UHFFFAOYSA-N
XLogP1.18
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(NZ)-N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 6195817
N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
CID 4704459
(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
CID 6359531
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide
CID 46256500
4-[[amino-[(Z)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]benzenesulfonic acid;hydrochloride
CID 156631539
N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide
CID 34555254
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide
CID 10958727
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
phenyl N'-(benzenesulfonyl)carbamimidate
CID 70117116
4-(2,3-dimethylphenyl)-N'-(4-fluorophenyl)sulfonylpiperazine-1-carboximidamide
CID 46256511

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(benzenesulfonyl)piperidine-1-carboximidamide (CID 75092022) is N'-(benzenesulfonyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)piperidine-1-carboximidamide is NC(=NS(=O)(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of N'-(benzenesulfonyl)piperidine-1-carboximidamide?
The InChIKey is KMMUWYBJNCAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-12(15-9-5-2-6-10-15)14-18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,13,14).
What are the key properties of N'-(benzenesulfonyl)piperidine-1-carboximidamide?
N'-(benzenesulfonyl)piperidine-1-carboximidamide has a molecular weight of 267.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)piperidine-1-carboximidamide is sourced from PubChem (CID 75092022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).