N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine

C11H17N3S — CID 62576130

IUPACN-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine
SMILESc1cnc(SCCNC2CCCC2)nc1
InChIInChI=1S/C11H17N3S/c1-2-5-10(4-1)12-8-9-15-11-13-6-3-7-14-11/h3,6-7,10,12H,1-2,4-5,8-9H2
InChIKeyVSRGSSCZUYRKQH-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.10
Rot. Bonds5

About N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine

N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine (PubChem CID 62576130) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine
PubChem CID62576130
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine
SMILESc1cnc(SCCNC2CCCC2)nc1
InChIInChI=1S/C11H17N3S/c1-2-5-10(4-1)12-8-9-15-11-13-6-3-7-14-11/h3,6-7,10,12H,1-2,4-5,8-9H2
InChIKeyVSRGSSCZUYRKQH-UHFFFAOYSA-N
XLogP2.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine?
The IUPAC name of N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine (CID 62576130) is N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine.
What is the SMILES notation for N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine?
The canonical SMILES for N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine is c1cnc(SCCNC2CCCC2)nc1.
What is the InChIKey of N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine?
The InChIKey is VSRGSSCZUYRKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-5-10(4-1)12-8-9-15-11-13-6-3-7-14-11/h3,6-7,10,12H,1-2,4-5,8-9H2.
What are the key properties of N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine?
N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine has a molecular weight of 223.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine is sourced from PubChem (CID 62576130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).