4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

C14H20N6O3S2 — CID 71654911

IUPAC4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCS(=O)(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C14H20N6O3S2/c1-25(22,23)18-2-3-19-4-6-20(7-5-19)14-12-10(16-9-17-14)8-11(24-12)13(15)21/h8-9,18H,2-7H2,1H3,(H2,15,21)
InChIKeyQXTKWWOUIXSBEW-UHFFFAOYSA-N
MW384.49 g/mol
LogP-0.54
Rot. Bonds6

About 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654911) has the molecular formula C14H20N6O3S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654911
Molecular FormulaC14H20N6O3S2
Molecular Weight384.49 g/mol
Exact Mass384.10
IUPAC Name4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCS(=O)(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C14H20N6O3S2/c1-25(22,23)18-2-3-19-4-6-20(7-5-19)14-12-10(16-9-17-14)8-11(24-12)13(15)21/h8-9,18H,2-7H2,1H3,(H2,15,21)
InChIKeyQXTKWWOUIXSBEW-UHFFFAOYSA-N
XLogP-0.54
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-{2-[1-(6-Carbamoylthieno[3,2-D]pyrimidin-4-Yl)piperidin-4-Yl]ethyl}-N'-Ethylthiophene-2,5-Dicarboxamide
CID 71304813
4-(4-{2-[(2,2-Dimethylpropanoyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
CID 71304814
4-(4-{2-[(Methylsulfonyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
CID 71304815
4-(4-(2-(Thiophene-2-carboxamido)ethyl)piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654773
4-[4-(2-Acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654774
4-[4-(2-Acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654840
4-[4-[2-(Ethanethioylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654841
4-[4-[2-(Ethanethioylamino)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654842
4-(4-(Pivalamidomethyl)piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654843
4-(4-(3-Pivalamidopropyl)piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654909
4-(4-(2-Pivalamidoethyl)piperazin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654910
4-[4-(Pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654912

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71654911) is 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is CS(=O)(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is QXTKWWOUIXSBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S2/c1-25(22,23)18-2-3-19-4-6-20(7-5-19)14-12-10(16-9-17-14)8-11(24-12)13(15)21/h8-9,18H,2-7H2,1H3,(H2,15,21).
What are the key properties of 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 384.49 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).