N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H26N2O3S2 — CID 3245510

IUPACN-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H26N2O3S2/c20-17(18-15-8-3-1-2-4-9-15)14-7-5-11-19(13-14)24(21,22)16-10-6-12-23-16/h6,10,12,14-15H,1-5,7-9,11,13H2,(H,18,20)
InChIKeyIEUKUCHDODVVGL-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.99
Rot. Bonds4

About N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3245510) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID3245510
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H26N2O3S2/c20-17(18-15-8-3-1-2-4-9-15)14-7-5-11-19(13-14)24(21,22)16-10-6-12-23-16/h6,10,12,14-15H,1-5,7-9,11,13H2,(H,18,20)
InChIKeyIEUKUCHDODVVGL-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 3245510) is N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is IEUKUCHDODVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c20-17(18-15-8-3-1-2-4-9-15)14-7-5-11-19(13-14)24(21,22)16-10-6-12-23-16/h6,10,12,14-15H,1-5,7-9,11,13H2,(H,18,20).
What are the key properties of N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3245510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).