2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol

C10H19NS2 — CID 103073555

IUPAC2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCSC(CC)C1
InChIInChI=1S/C10H19NS2/c1-3-10-7-11(4-5-13-10)6-9(2)8-12/h10,12H,2-8H2,1H3
InChIKeyKJAOLSKVQMTDPB-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.30
Rot. Bonds4

About 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol

2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol (PubChem CID 103073555) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
PubChem CID103073555
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCSC(CC)C1
InChIInChI=1S/C10H19NS2/c1-3-10-7-11(4-5-13-10)6-9(2)8-12/h10,12H,2-8H2,1H3
InChIKeyKJAOLSKVQMTDPB-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-(2-methylidenebutyl)thiomorpholine
CID 130612248
2,2-Dimethyl-4-(3-methylbut-2-en-1-yl)thiomorpholine
CID 130709446
2,2-Dimethyl-4-(3-methylbut-3-en-1-yl)thiomorpholine
CID 130735417
4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
4-(3-Methylbut-3-enyl)thiomorpholine
CID 130611988
4-Methyl-2-prop-1-en-2-ylthiomorpholine
CID 155383433
2-Methyl-4-(4-piperidin-1-ylbut-1-en-2-ylsulfanyl)butane-2-thiol
CID 169645683
2-[(2-Ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103071331
2-[(3-Methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073188
2-[(2,6-Dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073191
2-(Thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol
CID 103073260
2-[[Methyl(2-methylsulfanylethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073535

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol (CID 103073555) is 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol is C=C(CS)CN1CCSC(CC)C1.
What is the InChIKey of 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The InChIKey is KJAOLSKVQMTDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-3-10-7-11(4-5-13-10)6-9(2)8-12/h10,12H,2-8H2,1H3.
What are the key properties of 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol has a molecular weight of 217.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).