N,N-dimethylmorpholine-4-carbothioamide

C7H14N2OS — CID 12673943

IUPACN,N-dimethylmorpholine-4-carbothioamide
SMILESCN(C)C(=S)N1CCOCC1
InChIInChI=1S/C7H14N2OS/c1-8(2)7(11)9-3-5-10-6-4-9/h3-6H2,1-2H3
InChIKeyPCHVOLIMFCBRMJ-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.17
Rot. Bonds

About N,N-dimethylmorpholine-4-carbothioamide

N,N-dimethylmorpholine-4-carbothioamide (PubChem CID 12673943) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N,N-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN,N-dimethylmorpholine-4-carbothioamide
PubChem CID12673943
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN,N-dimethylmorpholine-4-carbothioamide
SMILESCN(C)C(=S)N1CCOCC1
InChIInChI=1S/C7H14N2OS/c1-8(2)7(11)9-3-5-10-6-4-9/h3-6H2,1-2H3
InChIKeyPCHVOLIMFCBRMJ-UHFFFAOYSA-N
XLogP0.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.17
H-Bond Donors ≤ 50
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,N-dimethylmorpholine-4-carbothioamide?
The IUPAC name of N,N-dimethylmorpholine-4-carbothioamide (CID 12673943) is N,N-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for N,N-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for N,N-dimethylmorpholine-4-carbothioamide is CN(C)C(=S)N1CCOCC1.
What is the InChIKey of N,N-dimethylmorpholine-4-carbothioamide?
The InChIKey is PCHVOLIMFCBRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-8(2)7(11)9-3-5-10-6-4-9/h3-6H2,1-2H3.
What are the key properties of N,N-dimethylmorpholine-4-carbothioamide?
N,N-dimethylmorpholine-4-carbothioamide has a molecular weight of 174.27 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 12673943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).