N,4-dimethyl-3-morpholin-4-ylsulfanylaniline

C12H18N2OS — CID 144897447

IUPACN,4-dimethyl-3-morpholin-4-ylsulfanylaniline
SMILESCNc1ccc(C)c(SN2CCOCC2)c1
InChIInChI=1S/C12H18N2OS/c1-10-3-4-11(13-2)9-12(10)16-14-5-7-15-8-6-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyDOZHLPDLZHMUNQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.38
Rot. Bonds3

About N,4-dimethyl-3-morpholin-4-ylsulfanylaniline

N,4-dimethyl-3-morpholin-4-ylsulfanylaniline (PubChem CID 144897447) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N,4-dimethyl-3-morpholin-4-ylsulfanylaniline.

Molecular Properties

Compound NameN,4-dimethyl-3-morpholin-4-ylsulfanylaniline
PubChem CID144897447
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN,4-dimethyl-3-morpholin-4-ylsulfanylaniline
SMILESCNc1ccc(C)c(SN2CCOCC2)c1
InChIInChI=1S/C12H18N2OS/c1-10-3-4-11(13-2)9-12(10)16-14-5-7-15-8-6-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyDOZHLPDLZHMUNQ-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-morpholin-4-ylsulfanylaniline?
The IUPAC name of N,4-dimethyl-3-morpholin-4-ylsulfanylaniline (CID 144897447) is N,4-dimethyl-3-morpholin-4-ylsulfanylaniline.
What is the SMILES notation for N,4-dimethyl-3-morpholin-4-ylsulfanylaniline?
The canonical SMILES for N,4-dimethyl-3-morpholin-4-ylsulfanylaniline is CNc1ccc(C)c(SN2CCOCC2)c1.
What is the InChIKey of N,4-dimethyl-3-morpholin-4-ylsulfanylaniline?
The InChIKey is DOZHLPDLZHMUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10-3-4-11(13-2)9-12(10)16-14-5-7-15-8-6-14/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of N,4-dimethyl-3-morpholin-4-ylsulfanylaniline?
N,4-dimethyl-3-morpholin-4-ylsulfanylaniline has a molecular weight of 238.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-morpholin-4-ylsulfanylaniline is sourced from PubChem (CID 144897447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).