N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide

C19H28N6O2S — CID 10408953

IUPACN-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide
SMILESN#CN/C(=N\S(=O)(=O)c1cnccc1NC1CCCCCC1)N1CCCCC1
InChIInChI=1S/C19H28N6O2S/c20-15-22-19(25-12-6-3-7-13-25)24-28(26,27)18-14-21-11-10-17(18)23-16-8-4-1-2-5-9-16/h10-11,14,16H,1-9,12-13H2,(H,21,23)(H,22,24)
InChIKeyGMUZNZCMANNIJM-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.82
Rot. Bonds4

About N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide

N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide (PubChem CID 10408953) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide
PubChem CID10408953
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC NameN-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide
SMILESN#CN/C(=N\S(=O)(=O)c1cnccc1NC1CCCCCC1)N1CCCCC1
InChIInChI=1S/C19H28N6O2S/c20-15-22-19(25-12-6-3-7-13-25)24-28(26,27)18-14-21-11-10-17(18)23-16-8-4-1-2-5-9-16/h10-11,14,16H,1-9,12-13H2,(H,21,23)(H,22,24)
InChIKeyGMUZNZCMANNIJM-UHFFFAOYSA-N
XLogP2.82
TPSA110.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide?
The IUPAC name of N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide (CID 10408953) is N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide?
The canonical SMILES for N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide is N#CN/C(=N\S(=O)(=O)c1cnccc1NC1CCCCCC1)N1CCCCC1.
What is the InChIKey of N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide?
The InChIKey is GMUZNZCMANNIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c20-15-22-19(25-12-6-3-7-13-25)24-28(26,27)18-14-21-11-10-17(18)23-16-8-4-1-2-5-9-16/h10-11,14,16H,1-9,12-13H2,(H,21,23)(H,22,24).
What are the key properties of N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide?
N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide has a molecular weight of 404.54 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide is sourced from PubChem (CID 10408953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).