N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

C16H21N3OS2 — CID 18123984

IUPACN-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCC(Sc1ncnc2ccsc12)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H21N3OS2/c1-11(15(20)19-12-6-4-2-3-5-7-12)22-16-14-13(8-9-21-14)17-10-18-16/h8-12H,2-7H2,1H3,(H,19,20)
InChIKeyZBGKFIOEXOCVLS-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.01
Rot. Bonds4

About N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 18123984) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID18123984
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC NameN-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCC(Sc1ncnc2ccsc12)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H21N3OS2/c1-11(15(20)19-12-6-4-2-3-5-7-12)22-16-14-13(8-9-21-14)17-10-18-16/h8-12H,2-7H2,1H3,(H,19,20)
InChIKeyZBGKFIOEXOCVLS-UHFFFAOYSA-N
XLogP4.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (CID 18123984) is N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is CC(Sc1ncnc2ccsc12)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is ZBGKFIOEXOCVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-11(15(20)19-12-6-4-2-3-5-7-12)22-16-14-13(8-9-21-14)17-10-18-16/h8-12H,2-7H2,1H3,(H,19,20).
What are the key properties of N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 335.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 18123984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).