N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide

C11H22N2O2S — CID 2031379

IUPACN-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide
SMILESCC(C)OCCCNC(=S)N1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-10(2)15-7-3-4-12-11(16)13-5-8-14-9-6-13/h10H,3-9H2,1-2H3,(H,12,16)
InChIKeySCFXGAUTAGCXKK-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.01
Rot. Bonds5

About N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide

N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide (PubChem CID 2031379) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide
PubChem CID2031379
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide
SMILESCC(C)OCCCNC(=S)N1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-10(2)15-7-3-4-12-11(16)13-5-8-14-9-6-13/h10H,3-9H2,1-2H3,(H,12,16)
InChIKeySCFXGAUTAGCXKK-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'}

Analyze N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-1-[2-(morpholin-4-yl)ethyl]thiourea
CID 800073
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-[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
N-(3-ethoxypropyl)-4-ethylpiperazine-1-carbothioamide
CID 3191984
N-propylmorpholine-4-carbothioamide
CID 19653716

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide (CID 2031379) is N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide is CC(C)OCCCNC(=S)N1CCOCC1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide?
The InChIKey is SCFXGAUTAGCXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(2)15-7-3-4-12-11(16)13-5-8-14-9-6-13/h10H,3-9H2,1-2H3,(H,12,16).
What are the key properties of N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide?
N-(3-propan-2-yloxypropyl)morpholine-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-propan-2-yloxypropyl)morpholine-4-carbothioamide is sourced from PubChem (CID 2031379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).