N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C18H33N3O3S — CID 3236514

IUPACN-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H33N3O3S/c22-18(19-17-8-4-2-1-3-5-9-17)16-10-14-21(15-11-16)25(23,24)20-12-6-7-13-20/h16-17H,1-15H2,(H,19,22)
InChIKeyVRGNHUTUPGOLFQ-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.27
Rot. Bonds4

About N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3236514) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3236514
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H33N3O3S/c22-18(19-17-8-4-2-1-3-5-9-17)16-10-14-21(15-11-16)25(23,24)20-12-6-7-13-20/h16-17H,1-15H2,(H,19,22)
InChIKeyVRGNHUTUPGOLFQ-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3236514) is N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is VRGNHUTUPGOLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c22-18(19-17-8-4-2-1-3-5-9-17)16-10-14-21(15-11-16)25(23,24)20-12-6-7-13-20/h16-17H,1-15H2,(H,19,22).
What are the key properties of N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3236514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).