N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide

C20H30N4O2S2 — CID 54769739

IUPACN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-4-2-16(3-5-17)7-10-23-11-13-24(14-12-23)20-18-8-15-27-19(18)6-9-21-20/h6,8-9,15-17,22H,2-5,7,10-14H2,1H3
InChIKeyBUNARIUEVNWERA-UHFFFAOYSA-N
MW422.62 g/mol
LogP2.92
Rot. Bonds6

About N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide

N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide (PubChem CID 54769739) has the molecular formula C20H30N4O2S2 and a molecular weight of 422.62 g/mol. Its IUPAC name is N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide
PubChem CID54769739
Molecular FormulaC20H30N4O2S2
Molecular Weight422.62 g/mol
Exact Mass422.18
IUPAC NameN-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-4-2-16(3-5-17)7-10-23-11-13-24(14-12-23)20-18-8-15-27-19(18)6-9-21-20/h6,8-9,15-17,22H,2-5,7,10-14H2,1H3
InChIKeyBUNARIUEVNWERA-UHFFFAOYSA-N
XLogP2.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide (CID 54769739) is N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide?
The InChIKey is BUNARIUEVNWERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-4-2-16(3-5-17)7-10-23-11-13-24(14-12-23)20-18-8-15-27-19(18)6-9-21-20/h6,8-9,15-17,22H,2-5,7,10-14H2,1H3.
What are the key properties of N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide?
N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide has a molecular weight of 422.62 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 54769739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).