N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C17H26N2O3S2 — CID 42940296

IUPACN-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)s1
InChIInChI=1S/C17H26N2O3S2/c1-13-9-10-16(23-13)24(21,22)19-11-5-6-14(12-19)17(20)18-15-7-3-2-4-8-15/h9-10,14-15H,2-8,11-12H2,1H3,(H,18,20)
InChIKeyVHIFTKYJGOCQQU-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.91
Rot. Bonds4

About N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 42940296) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID42940296
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)s1
InChIInChI=1S/C17H26N2O3S2/c1-13-9-10-16(23-13)24(21,22)19-11-5-6-14(12-19)17(20)18-15-7-3-2-4-8-15/h9-10,14-15H,2-8,11-12H2,1H3,(H,18,20)
InChIKeyVHIFTKYJGOCQQU-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 42940296) is N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)s1.
What is the InChIKey of N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is VHIFTKYJGOCQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-13-9-10-16(23-13)24(21,22)19-11-5-6-14(12-19)17(20)18-15-7-3-2-4-8-15/h9-10,14-15H,2-8,11-12H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 42940296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).