N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide

C16H24N4O2S2 — CID 55626661

IUPACN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2ncnc3sc(CC)cc23)CC1
InChIInChI=1S/C16H24N4O2S2/c1-3-9-24(21,22)19-12-5-7-20(8-6-12)15-14-10-13(4-2)23-16(14)18-11-17-15/h10-12,19H,3-9H2,1-2H3
InChIKeyYELBVYYYQOKIFZ-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.55
Rot. Bonds6

About N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 55626661) has the molecular formula C16H24N4O2S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID55626661
Molecular FormulaC16H24N4O2S2
Molecular Weight368.53 g/mol
Exact Mass368.13
IUPAC NameN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2ncnc3sc(CC)cc23)CC1
InChIInChI=1S/C16H24N4O2S2/c1-3-9-24(21,22)19-12-5-7-20(8-6-12)15-14-10-13(4-2)23-16(14)18-11-17-15/h10-12,19H,3-9H2,1-2H3
InChIKeyYELBVYYYQOKIFZ-UHFFFAOYSA-N
XLogP2.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089198
N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 86776323
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432414
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
6-ethyl-4-[4-(triazol-1-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133455661
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 31539436
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
6-ethyl-4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133280016

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide (CID 55626661) is N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(c2ncnc3sc(CC)cc23)CC1.
What is the InChIKey of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is YELBVYYYQOKIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S2/c1-3-9-24(21,22)19-12-5-7-20(8-6-12)15-14-10-13(4-2)23-16(14)18-11-17-15/h10-12,19H,3-9H2,1-2H3.
What are the key properties of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 368.53 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 55626661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).