5-(dimethylamino)pent-3-yne-1-thiol

C7H13NS — CID 137391318

IUPAC5-(dimethylamino)pent-3-yne-1-thiol
SMILESCN(C)CC#CCCS
InChIInChI=1S/C7H13NS/c1-8(2)6-4-3-5-7-9/h9H,5-7H2,1-2H3
InChIKeyGLFHCTMMXYQMSS-UHFFFAOYSA-N
MW143.25 g/mol
LogP0.87
Rot. Bonds2

About 5-(dimethylamino)pent-3-yne-1-thiol

5-(dimethylamino)pent-3-yne-1-thiol (PubChem CID 137391318) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-(dimethylamino)pent-3-yne-1-thiol.

Molecular Properties

Compound Name5-(dimethylamino)pent-3-yne-1-thiol
PubChem CID137391318
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-(dimethylamino)pent-3-yne-1-thiol
SMILESCN(C)CC#CCCS
InChIInChI=1S/C7H13NS/c1-8(2)6-4-3-5-7-9/h9H,5-7H2,1-2H3
InChIKeyGLFHCTMMXYQMSS-UHFFFAOYSA-N
XLogP0.87
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pent-3-yne-1-thiol?
The IUPAC name of 5-(dimethylamino)pent-3-yne-1-thiol (CID 137391318) is 5-(dimethylamino)pent-3-yne-1-thiol.
What is the SMILES notation for 5-(dimethylamino)pent-3-yne-1-thiol?
The canonical SMILES for 5-(dimethylamino)pent-3-yne-1-thiol is CN(C)CC#CCCS.
What is the InChIKey of 5-(dimethylamino)pent-3-yne-1-thiol?
The InChIKey is GLFHCTMMXYQMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-8(2)6-4-3-5-7-9/h9H,5-7H2,1-2H3.
What are the key properties of 5-(dimethylamino)pent-3-yne-1-thiol?
5-(dimethylamino)pent-3-yne-1-thiol has a molecular weight of 143.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pent-3-yne-1-thiol is sourced from PubChem (CID 137391318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).