N-(2-methylpropyl)morpholine-4-carbothioamide

C9H18N2OS — CID 3421417

IUPACN-(2-methylpropyl)morpholine-4-carbothioamide
SMILESCC(C)CNC(=S)N1CCOCC1
InChIInChI=1S/C9H18N2OS/c1-8(2)7-10-9(13)11-3-5-12-6-4-11/h8H,3-7H2,1-2H3,(H,10,13)
InChIKeyRUSQPGNPOQDTIU-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.85
Rot. Bonds2

About N-(2-methylpropyl)morpholine-4-carbothioamide

N-(2-methylpropyl)morpholine-4-carbothioamide (PubChem CID 3421417) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(2-methylpropyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-methylpropyl)morpholine-4-carbothioamide
PubChem CID3421417
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(2-methylpropyl)morpholine-4-carbothioamide
SMILESCC(C)CNC(=S)N1CCOCC1
InChIInChI=1S/C9H18N2OS/c1-8(2)7-10-9(13)11-3-5-12-6-4-11/h8H,3-7H2,1-2H3,(H,10,13)
InChIKeyRUSQPGNPOQDTIU-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2-methylpropyl)morpholine-4-carbothioamide (CID 3421417) is N-(2-methylpropyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2-methylpropyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2-methylpropyl)morpholine-4-carbothioamide is CC(C)CNC(=S)N1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)morpholine-4-carbothioamide?
The InChIKey is RUSQPGNPOQDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-8(2)7-10-9(13)11-3-5-12-6-4-11/h8H,3-7H2,1-2H3,(H,10,13).
What are the key properties of N-(2-methylpropyl)morpholine-4-carbothioamide?
N-(2-methylpropyl)morpholine-4-carbothioamide has a molecular weight of 202.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)morpholine-4-carbothioamide is sourced from PubChem (CID 3421417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).