N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide

C15H20N2O3S — CID 7926212

IUPACN-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC1
InChIInChI=1S/C15H20N2O3S/c18-15(12-7-8-12)16-13-5-4-6-14(11-13)21(19,20)17-9-2-1-3-10-17/h4-6,11-12H,1-3,7-10H2,(H,16,18)
InChIKeyDVETUDNDWIHILO-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.21
Rot. Bonds4

About N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide

N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide (PubChem CID 7926212) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide
PubChem CID7926212
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC1
InChIInChI=1S/C15H20N2O3S/c18-15(12-7-8-12)16-13-5-4-6-14(11-13)21(19,20)17-9-2-1-3-10-17/h4-6,11-12H,1-3,7-10H2,(H,16,18)
InChIKeyDVETUDNDWIHILO-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide (CID 7926212) is N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide?
The InChIKey is DVETUDNDWIHILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15(12-7-8-12)16-13-5-4-6-14(11-13)21(19,20)17-9-2-1-3-10-17/h4-6,11-12H,1-3,7-10H2,(H,16,18).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide?
N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 7926212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).