2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide

C11H22N2O2S — CID 102932378

IUPAC2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide
SMILESCC(C)CNC(=S)N1CC(C)OC(CO)C1
InChIInChI=1S/C11H22N2O2S/c1-8(2)4-12-11(16)13-5-9(3)15-10(6-13)7-14/h8-10,14H,4-7H2,1-3H3,(H,12,16)
InChIKeyXOYSBKDEDLTTQX-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.60
Rot. Bonds3

About 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide

2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide (PubChem CID 102932378) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide
PubChem CID102932378
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide
SMILESCC(C)CNC(=S)N1CC(C)OC(CO)C1
InChIInChI=1S/C11H22N2O2S/c1-8(2)4-12-11(16)13-5-9(3)15-10(6-13)7-14/h8-10,14H,4-7H2,1-3H3,(H,12,16)
InChIKeyXOYSBKDEDLTTQX-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5R)-5-methyl-4-[(propan-2-ylamino)methyl]morpholin-2-yl]methanol
CID 163697983
N-(3-propan-2-yloxypropyl)morpholine-4-carbothioamide
CID 2031379
N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 4767625
2,6-dimethyl-N-(2-methylpropyl)morpholine-4-carbothioamide
CID 19654294
2-(Hydroxymethyl)morpholine-4-carbothioamide
CID 45118496
(2R,6R)-N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 51389640
(2S,6S)-N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 51389641
(2S,6R)-N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 51529110
3-[2-(Hydroxymethyl)morpholin-4-yl]-2-methylpropanethioamide
CID 81203588
(S)-2-(Hydroxymethyl)morpholine-4-carbothioamide
CID 93511510
(R)-2-(Hydroxymethyl)morpholine-4-carbothioamide
CID 93511511
N-butyl-2-(hydroxymethyl)-6-methylmorpholine-4-carbothioamide
CID 102932375

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide (CID 102932378) is 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide is CC(C)CNC(=S)N1CC(C)OC(CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide?
The InChIKey is XOYSBKDEDLTTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8(2)4-12-11(16)13-5-9(3)15-10(6-13)7-14/h8-10,14H,4-7H2,1-3H3,(H,12,16).
What are the key properties of 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide?
2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide has a molecular weight of 246.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide is sourced from PubChem (CID 102932378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).