9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol

C15H31NS2 — CID 105344286

IUPAC9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol
SMILESCCC1CN(CCCCCCCCCS)CCS1
InChIInChI=1S/C15H31NS2/c1-2-15-14-16(11-13-18-15)10-8-6-4-3-5-7-9-12-17/h15,17H,2-14H2,1H3
InChIKeyYEIPXNXEOPJCGM-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.47
Rot. Bonds10

About 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol

9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol (PubChem CID 105344286) has the molecular formula C15H31NS2 and a molecular weight of 289.55 g/mol. Its IUPAC name is 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol.

Molecular Properties

Compound Name9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol
PubChem CID105344286
Molecular FormulaC15H31NS2
Molecular Weight289.55 g/mol
Exact Mass289.19
IUPAC Name9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol
SMILESCCC1CN(CCCCCCCCCS)CCS1
InChIInChI=1S/C15H31NS2/c1-2-15-14-16(11-13-18-15)10-8-6-4-3-5-7-9-12-17/h15,17H,2-14H2,1H3
InChIKeyYEIPXNXEOPJCGM-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol?
The IUPAC name of 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol (CID 105344286) is 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol.
What is the SMILES notation for 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol?
The canonical SMILES for 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol is CCC1CN(CCCCCCCCCS)CCS1.
What is the InChIKey of 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol?
The InChIKey is YEIPXNXEOPJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS2/c1-2-15-14-16(11-13-18-15)10-8-6-4-3-5-7-9-12-17/h15,17H,2-14H2,1H3.
What are the key properties of 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol?
9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol has a molecular weight of 289.55 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol is sourced from PubChem (CID 105344286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).