N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide

C11H22N2O2S — CID 115579500

IUPACN-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide
SMILESCCOCCCNC(=S)N1CCOCC1C
InChIInChI=1S/C11H22N2O2S/c1-3-14-7-4-5-12-11(16)13-6-8-15-9-10(13)2/h10H,3-9H2,1-2H3,(H,12,16)
InChIKeyOBILRVBWPMOFDU-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.01
Rot. Bonds5

About N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide

N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide (PubChem CID 115579500) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide
PubChem CID115579500
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide
SMILESCCOCCCNC(=S)N1CCOCC1C
InChIInChI=1S/C11H22N2O2S/c1-3-14-7-4-5-12-11(16)13-6-8-15-9-10(13)2/h10H,3-9H2,1-2H3,(H,12,16)
InChIKeyOBILRVBWPMOFDU-UHFFFAOYSA-N
XLogP1.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-[2-(morpholin-4-yl)ethyl]thiourea
CID 800073
1-Cyclopropyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 2031935
Morpholine-4-carbothioic acid (3-morpholin-4-yl-propyl)-amide
CID 2725457
1-Ethyl-3-[2-(morpholin-4-yl)ethyl]thiourea
CID 886104
N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide
CID 19654295
Thiourea, N-(3-ethoxy-2-(4-morpholinyl)propyl)-N'-ethyl-
CID 3070406
N-ethyl-2,6-dimethylmorpholine-4-carbothioamide
CID 2927468
N-cyclopentylmorpholine-4-carbothioamide
CID 892364
N-[3-(4-Morpholinyl)propyl]thiourea
CID 2760135
N-(2-methoxyethyl)-4-morpholinecarbothioamide
CID 2168459
4-Morpholinecarbothioamide, N-butyl-
CID 3293994
1,1-Dimethyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 2731720

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide?
The IUPAC name of N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide (CID 115579500) is N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide is CCOCCCNC(=S)N1CCOCC1C.
What is the InChIKey of N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide?
The InChIKey is OBILRVBWPMOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-14-7-4-5-12-11(16)13-6-8-15-9-10(13)2/h10H,3-9H2,1-2H3,(H,12,16).
What are the key properties of N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide?
N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide has a molecular weight of 246.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-methylmorpholine-4-carbothioamide is sourced from PubChem (CID 115579500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).