N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide

C11H14N4OS — CID 872862

IUPACN-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NN=C1CCCC1
InChIInChI=1S/C11H14N4OS/c16-10(15-14-9-4-1-2-5-9)8-17-11-12-6-3-7-13-11/h3,6-7H,1-2,4-5,8H2,(H,15,16)
InChIKeyWKJUGSAKXBEZTL-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.61
Rot. Bonds4

About N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide

N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 872862) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID872862
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NN=C1CCCC1
InChIInChI=1S/C11H14N4OS/c16-10(15-14-9-4-1-2-5-9)8-17-11-12-6-3-7-13-11/h3,6-7H,1-2,4-5,8H2,(H,15,16)
InChIKeyWKJUGSAKXBEZTL-UHFFFAOYSA-N
XLogP1.61
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Pyrimidin-2-ylsulfanyl)-acetic acid cycloheptylidene-hydrazide
CID 694126
2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 660581
N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2628835
N'-cyclooctylidene-2-(2-pyrimidinylsulfanyl)acetohydrazide
CID 848043
N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide
CID 4618357
N-(6-methyl-7-oxo-7H-thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 29140567
6-pyrimidin-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 166635320
N-tert-butyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 702529
[2-(Pyrimidin-2-ylsulfanyl)-acetyl]-urea
CID 592296
2-(Pyrimidin-2-ylsulfanyl)acetamide
CID 9458560
2-(2-pyrimidinylsulfanyl)-N'-(1,2,2-trimethylpropylidene)propanohydrazide
CID 5971143
2-(Pyrimidin-2-ylsulfanyl)acetohydrazide
CID 40454993

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide (CID 872862) is N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NN=C1CCCC1.
What is the InChIKey of N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is WKJUGSAKXBEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c16-10(15-14-9-4-1-2-5-9)8-17-11-12-6-3-7-13-11/h3,6-7H,1-2,4-5,8H2,(H,15,16).
What are the key properties of N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide?
N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 250.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 872862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).