7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide

C15H21N5O3S2 — CID 90398914

IUPAC7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)NCCN1CCN(c2nccc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H21N5O3S2/c1-25(22,23)18-4-5-19-6-8-20(9-7-19)15-13-11(2-3-17-15)10-12(24-13)14(16)21/h2-3,10,18H,4-9H2,1H3,(H2,16,21)
InChIKeyHBUXJLYGKMRXCH-UHFFFAOYSA-N
MW383.50 g/mol
LogP0.07
Rot. Bonds6

About 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide

7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90398914) has the molecular formula C15H21N5O3S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90398914
Molecular FormulaC15H21N5O3S2
Molecular Weight383.50 g/mol
Exact Mass383.11
IUPAC Name7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)NCCN1CCN(c2nccc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H21N5O3S2/c1-25(22,23)18-4-5-19-6-8-20(9-7-19)15-13-11(2-3-17-15)10-12(24-13)14(16)21/h2-3,10,18H,4-9H2,1H3,(H2,16,21)
InChIKeyHBUXJLYGKMRXCH-UHFFFAOYSA-N
XLogP0.07
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (CID 90398914) is 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is CS(=O)(=O)NCCN1CCN(c2nccc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is HBUXJLYGKMRXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S2/c1-25(22,23)18-4-5-19-6-8-20(9-7-19)15-13-11(2-3-17-15)10-12(24-13)14(16)21/h2-3,10,18H,4-9H2,1H3,(H2,16,21).
What are the key properties of 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90398914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).