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

C15H21N5O3S2 — CID 71304815

IUPAC4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCS(=O)(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21)
InChIKeyBKOWIHMCGFRARN-UHFFFAOYSA-N
MW383.50 g/mol
LogP0.95
Rot. Bonds6

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

4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71304815) has the molecular formula C15H21N5O3S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71304815
Molecular FormulaC15H21N5O3S2
Molecular Weight383.50 g/mol
Exact Mass383.11
IUPAC Name4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCS(=O)(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21)
InChIKeyBKOWIHMCGFRARN-UHFFFAOYSA-N
XLogP0.95
TPSA118.28 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(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-(2-(Methylsulfonamido)ethyl)piperazin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654911
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]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71304815) is 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is CS(=O)(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is BKOWIHMCGFRARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21).
What are the key properties of 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71304815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).