1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine

C10H15N3S — CID 71042919

IUPAC1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine
SMILESNC1(CSc2ncccn2)CCCC1
InChIInChI=1S/C10H15N3S/c11-10(4-1-2-5-10)8-14-9-12-6-3-7-13-9/h3,6-7H,1-2,4-5,8,11H2
InChIKeyGFNOOLWSPZWKOQ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.84
Rot. Bonds3

About 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine

1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine (PubChem CID 71042919) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine
PubChem CID71042919
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine
SMILESNC1(CSc2ncccn2)CCCC1
InChIInChI=1S/C10H15N3S/c11-10(4-1-2-5-10)8-14-9-12-6-3-7-13-9/h3,6-7H,1-2,4-5,8,11H2
InChIKeyGFNOOLWSPZWKOQ-UHFFFAOYSA-N
XLogP1.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine (CID 71042919) is 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine is NC1(CSc2ncccn2)CCCC1.
What is the InChIKey of 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine?
The InChIKey is GFNOOLWSPZWKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-10(4-1-2-5-10)8-14-9-12-6-3-7-13-9/h3,6-7H,1-2,4-5,8,11H2.
What are the key properties of 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine?
1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine has a molecular weight of 209.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 71042919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).