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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Related Compounds

7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
CID 90398978
tert-butyl N-[2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethyl]carbamate
CID 90398890
4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 90389307
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide
CID 175918090
2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
CID 154365304
2-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 83063868
2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium
CID 143764520
3-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butyl]-1-thia-3-azaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 45264016
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812324
N-[2-[2-(5-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide
CID 155911897
N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 902061

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).