[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol

C10H19NS — CID 130548652

IUPAC[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
SMILESSCC1(CN2CCC2)CCCC1
InChIInChI=1S/C10H19NS/c12-9-10(4-1-2-5-10)8-11-6-3-7-11/h12H,1-9H2
InChIKeyJRHFFMULSMMZGP-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.18
Rot. Bonds3

About [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol

[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol (PubChem CID 130548652) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
PubChem CID130548652
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
SMILESSCC1(CN2CCC2)CCCC1
InChIInChI=1S/C10H19NS/c12-9-10(4-1-2-5-10)8-11-6-3-7-11/h12H,1-9H2
InChIKeyJRHFFMULSMMZGP-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol?
The IUPAC name of [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol (CID 130548652) is [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol.
What is the SMILES notation for [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol?
The canonical SMILES for [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol is SCC1(CN2CCC2)CCCC1.
What is the InChIKey of [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol?
The InChIKey is JRHFFMULSMMZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c12-9-10(4-1-2-5-10)8-11-6-3-7-11/h12H,1-9H2.
What are the key properties of [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol?
[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol has a molecular weight of 185.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol is sourced from PubChem (CID 130548652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).