piperidine;sulfonylurea

C6H13N3O3S — CID 158107137

IUPACpiperidine;sulfonylurea
SMILESC1CCNCC1.NC(=O)N=S(=O)=O
InChIInChI=1S/C5H11N.CH2N2O3S/c1-2-4-6-5-3-1;2-1(4)3-7(5)6/h6H,1-5H2;(H2,2,4)
InChIKeyFPYZYVOKXDWGRZ-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds

About piperidine;sulfonylurea

piperidine;sulfonylurea (PubChem CID 158107137) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is piperidine;sulfonylurea.

Molecular Properties

Compound Namepiperidine;sulfonylurea
PubChem CID158107137
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Namepiperidine;sulfonylurea
SMILESC1CCNCC1.NC(=O)N=S(=O)=O
InChIInChI=1S/C5H11N.CH2N2O3S/c1-2-4-6-5-3-1;2-1(4)3-7(5)6/h6H,1-5H2;(H2,2,4)
InChIKeyFPYZYVOKXDWGRZ-UHFFFAOYSA-N
XLogP-0.11
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidine;sulfonylurea?
The IUPAC name of piperidine;sulfonylurea (CID 158107137) is piperidine;sulfonylurea.
What is the SMILES notation for piperidine;sulfonylurea?
The canonical SMILES for piperidine;sulfonylurea is C1CCNCC1.NC(=O)N=S(=O)=O.
What is the InChIKey of piperidine;sulfonylurea?
The InChIKey is FPYZYVOKXDWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH2N2O3S/c1-2-4-6-5-3-1;2-1(4)3-7(5)6/h6H,1-5H2;(H2,2,4).
What are the key properties of piperidine;sulfonylurea?
piperidine;sulfonylurea has a molecular weight of 207.25 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;sulfonylurea is sourced from PubChem (CID 158107137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).