N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline

C13H20N2S — CID 82916858

IUPACN,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
SMILESCc1ccc(N(C)CC2CSCCN2)cc1
InChIInChI=1S/C13H20N2S/c1-11-3-5-13(6-4-11)15(2)9-12-10-16-8-7-14-12/h3-6,12,14H,7-10H2,1-2H3
InChIKeyCEDYBLVDEXTNCH-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.14
Rot. Bonds3

About N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline

N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline (PubChem CID 82916858) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
PubChem CID82916858
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
SMILESCc1ccc(N(C)CC2CSCCN2)cc1
InChIInChI=1S/C13H20N2S/c1-11-3-5-13(6-4-11)15(2)9-12-10-16-8-7-14-12/h3-6,12,14H,7-10H2,1-2H3
InChIKeyCEDYBLVDEXTNCH-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline
CID 66419959
N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82915842
N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916479
N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide
CID 66422844
1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82917199
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline
CID 106741023
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 119937530
N-methyl-N-(pyridin-3-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916326

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline?
The IUPAC name of N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline (CID 82916858) is N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline.
What is the SMILES notation for N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline?
The canonical SMILES for N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline is Cc1ccc(N(C)CC2CSCCN2)cc1.
What is the InChIKey of N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline?
The InChIKey is CEDYBLVDEXTNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-11-3-5-13(6-4-11)15(2)9-12-10-16-8-7-14-12/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline?
N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline has a molecular weight of 236.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline is sourced from PubChem (CID 82916858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).