cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide

C15H21N5OS — CID 99695946

IUPACcis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide
SMILESN[C@@H]1CCCCCC[C@@H]1C(=O)NNc1ncnc2ccsc12
InChIInChI=1S/C15H21N5OS/c16-11-6-4-2-1-3-5-10(11)15(21)20-19-14-13-12(7-8-22-13)17-9-18-14/h7-11H,1-6,16H2,(H,20,21)(H,17,18,19)/t10-,11+/m0/s1
InChIKeyAGZRZVZGSVXPCQ-WDEREUQCSA-N
MW319.43 g/mol
LogP2.43
Rot. Bonds3

About cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide

cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide (PubChem CID 99695946) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide
PubChem CID99695946
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Namecis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide
SMILESN[C@@H]1CCCCCC[C@@H]1C(=O)NNc1ncnc2ccsc12
InChIInChI=1S/C15H21N5OS/c16-11-6-4-2-1-3-5-10(11)15(21)20-19-14-13-12(7-8-22-13)17-9-18-14/h7-11H,1-6,16H2,(H,20,21)(H,17,18,19)/t10-,11+/m0/s1
InChIKeyAGZRZVZGSVXPCQ-WDEREUQCSA-N
XLogP2.43
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide?
The IUPAC name of cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide (CID 99695946) is cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide.
What is the SMILES notation for cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide?
The canonical SMILES for cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide is N[C@@H]1CCCCCC[C@@H]1C(=O)NNc1ncnc2ccsc12.
What is the InChIKey of cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide?
The InChIKey is AGZRZVZGSVXPCQ-WDEREUQCSA-N. The full InChI is InChI=1S/C15H21N5OS/c16-11-6-4-2-1-3-5-10(11)15(21)20-19-14-13-12(7-8-22-13)17-9-18-14/h7-11H,1-6,16H2,(H,20,21)(H,17,18,19)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide?
cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide has a molecular weight of 319.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-N'-thieno[3,2-d]pyrimidin-4-ylcyclooctane-1-carbohydrazide is sourced from PubChem (CID 99695946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).