2-(dimethylamino)cyclopentane-1-thiol

C7H15NS — CID 23379003

IUPAC2-(dimethylamino)cyclopentane-1-thiol
SMILESCN(C)C1CCCC1S
InChIInChI=1S/C7H15NS/c1-8(2)6-4-3-5-7(6)9/h6-7,9H,3-5H2,1-2H3
InChIKeyHIRLSHLMRMIETC-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.40
Rot. Bonds1

About 2-(dimethylamino)cyclopentane-1-thiol

2-(dimethylamino)cyclopentane-1-thiol (PubChem CID 23379003) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-(dimethylamino)cyclopentane-1-thiol.

Molecular Properties

Compound Name2-(dimethylamino)cyclopentane-1-thiol
PubChem CID23379003
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-(dimethylamino)cyclopentane-1-thiol
SMILESCN(C)C1CCCC1S
InChIInChI=1S/C7H15NS/c1-8(2)6-4-3-5-7(6)9/h6-7,9H,3-5H2,1-2H3
InChIKeyHIRLSHLMRMIETC-UHFFFAOYSA-N
XLogP1.40
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.40
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 2-(dimethylamino)cyclopentane-1-thiol?
The IUPAC name of 2-(dimethylamino)cyclopentane-1-thiol (CID 23379003) is 2-(dimethylamino)cyclopentane-1-thiol.
What is the SMILES notation for 2-(dimethylamino)cyclopentane-1-thiol?
The canonical SMILES for 2-(dimethylamino)cyclopentane-1-thiol is CN(C)C1CCCC1S.
What is the InChIKey of 2-(dimethylamino)cyclopentane-1-thiol?
The InChIKey is HIRLSHLMRMIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-8(2)6-4-3-5-7(6)9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-(dimethylamino)cyclopentane-1-thiol?
2-(dimethylamino)cyclopentane-1-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)cyclopentane-1-thiol is sourced from PubChem (CID 23379003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).