2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol

C10H19NS2 — CID 103073191

IUPAC2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CC(C)SC(C)C1
InChIInChI=1S/C10H19NS2/c1-8(7-12)4-11-5-9(2)13-10(3)6-11/h9-10,12H,1,4-7H2,2-3H3
InChIKeySPZVBSSHCKCBLD-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.30
Rot. Bonds3

About 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol

2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol (PubChem CID 103073191) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
PubChem CID103073191
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CC(C)SC(C)C1
InChIInChI=1S/C10H19NS2/c1-8(7-12)4-11-5-9(2)13-10(3)6-11/h9-10,12H,1,4-7H2,2-3H3
InChIKeySPZVBSSHCKCBLD-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-Tert-butyl-2-methylidenethiomorpholine
CID 70670572
4-(3-Methylbut-3-enyl)thiomorpholine
CID 130611988
4-(2,6-Dimethylthiomorpholin-4-yl)but-2-ene-1-thiol
CID 80017547
4-(3-Methylbut-2-enyl)thiomorpholine
CID 102415045
4-(2,3-Dimethylbut-2-enyl)thiomorpholine
CID 102415048
2-[(3-Methylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073188
2-(Thiomorpholin-4-ylmethyl)prop-2-ene-1-thiol
CID 103073260
2-[(1-Oxo-1,4-thiazinan-4-yl)methyl]prop-2-ene-1-thiol
CID 103073381

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol (CID 103073191) is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol is C=C(CS)CN1CC(C)SC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
The InChIKey is SPZVBSSHCKCBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-8(7-12)4-11-5-9(2)13-10(3)6-11/h9-10,12H,1,4-7H2,2-3H3.
What are the key properties of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol?
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol has a molecular weight of 217.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).