N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline

C14H22N2S — CID 82915842

IUPACN-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
SMILESCCN(CC1CSCCN1)c1cccc(C)c1
InChIInChI=1S/C14H22N2S/c1-3-16(10-13-11-17-8-7-15-13)14-6-4-5-12(2)9-14/h4-6,9,13,15H,3,7-8,10-11H2,1-2H3
InChIKeyUIUHDOLDNXZLNI-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.53
Rot. Bonds4

About N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline

N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline (PubChem CID 82915842) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
PubChem CID82915842
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
SMILESCCN(CC1CSCCN1)c1cccc(C)c1
InChIInChI=1S/C14H22N2S/c1-3-16(10-13-11-17-8-7-15-13)14-6-4-5-12(2)9-14/h4-6,9,13,15H,3,7-8,10-11H2,1-2H3
InChIKeyUIUHDOLDNXZLNI-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82916858
3-[(3-methylphenoxy)methyl]thiomorpholine
CID 82287244
N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
CID 55076467
N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 119937530
N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82908415
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline
CID 66469810
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
CID 80567320
N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55073617
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline?
The IUPAC name of N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline (CID 82915842) is N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline?
The canonical SMILES for N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline is CCN(CC1CSCCN1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline?
The InChIKey is UIUHDOLDNXZLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-16(10-13-11-17-8-7-15-13)14-6-4-5-12(2)9-14/h4-6,9,13,15H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline?
N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline has a molecular weight of 250.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline is sourced from PubChem (CID 82915842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).