N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide

C12H23N3O2S — CID 119164146

IUPACN'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC1(CCO)CCOC1)N1CCSCC1
InChIInChI=1S/C12H23N3O2S/c13-11(15-3-7-18-8-4-15)14-9-12(1-5-16)2-6-17-10-12/h16H,1-10H2,(H2,13,14)
InChIKeyRQEGVBGCOLOASL-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.14
Rot. Bonds4

About N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide

N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 119164146) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide
PubChem CID119164146
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CC1(CCO)CCOC1)N1CCSCC1
InChIInChI=1S/C12H23N3O2S/c13-11(15-3-7-18-8-4-15)14-9-12(1-5-16)2-6-17-10-12/h16H,1-10H2,(H2,13,14)
InChIKeyRQEGVBGCOLOASL-UHFFFAOYSA-N
XLogP0.14
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762790
N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999
N'-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111810423
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide
CID 122097885
N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 75512573
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120973293
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
CID 119120839

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide (CID 119164146) is N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide is N/C(=N\CC1(CCO)CCOC1)N1CCSCC1.
What is the InChIKey of N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is RQEGVBGCOLOASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c13-11(15-3-7-18-8-4-15)14-9-12(1-5-16)2-6-17-10-12/h16H,1-10H2,(H2,13,14).
What are the key properties of N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide?
N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 273.40 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 119164146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).