N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide

C14H21N3OS — CID 22752039

IUPACN'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide
SMILESCc1ccc(/N=C/N(C)SN2CCOCC2)c(C)c1
InChIInChI=1S/C14H21N3OS/c1-12-4-5-14(13(2)10-12)15-11-16(3)19-17-6-8-18-9-7-17/h4-5,10-11H,6-9H2,1-3H3/b15-11+
InChIKeyOJZZQEXYKFKCOB-RVDMUPIBSA-N
MW279.41 g/mol
LogP2.79
Rot. Bonds4

About N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide

N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide (PubChem CID 22752039) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide
PubChem CID22752039
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide
SMILESCc1ccc(/N=C/N(C)SN2CCOCC2)c(C)c1
InChIInChI=1S/C14H21N3OS/c1-12-4-5-14(13(2)10-12)15-11-16(3)19-17-6-8-18-9-7-17/h4-5,10-11H,6-9H2,1-3H3/b15-11+
InChIKeyOJZZQEXYKFKCOB-RVDMUPIBSA-N
XLogP2.79
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide (CID 22752039) is N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide is Cc1ccc(/N=C/N(C)SN2CCOCC2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide?
The InChIKey is OJZZQEXYKFKCOB-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-12-4-5-14(13(2)10-12)15-11-16(3)19-17-6-8-18-9-7-17/h4-5,10-11H,6-9H2,1-3H3/b15-11+.
What are the key properties of N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide?
N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide has a molecular weight of 279.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide is sourced from PubChem (CID 22752039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).