N-methyl-2-thiomorpholin-4-ylaniline

C11H16N2S — CID 144901042

IUPACN-methyl-2-thiomorpholin-4-ylaniline
SMILESCNc1ccccc1N1CCSCC1
InChIInChI=1S/C11H16N2S/c1-12-10-4-2-3-5-11(10)13-6-8-14-9-7-13/h2-5,12H,6-9H2,1H3
InChIKeyFJADLMDZRWGSDA-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.28
Rot. Bonds2

About N-methyl-2-thiomorpholin-4-ylaniline

N-methyl-2-thiomorpholin-4-ylaniline (PubChem CID 144901042) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-methyl-2-thiomorpholin-4-ylaniline.

Molecular Properties

Compound NameN-methyl-2-thiomorpholin-4-ylaniline
PubChem CID144901042
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-methyl-2-thiomorpholin-4-ylaniline
SMILESCNc1ccccc1N1CCSCC1
InChIInChI=1S/C11H16N2S/c1-12-10-4-2-3-5-11(10)13-6-8-14-9-7-13/h2-5,12H,6-9H2,1H3
InChIKeyFJADLMDZRWGSDA-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
N-methyl-2-nitro-3-thiomorpholin-4-ylaniline
CID 80764698
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
CID 71142174
(1R)-1-(2-thiomorpholin-4-ylphenyl)ethanol
CID 78939439
1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
CID 43281436
2-methyl-6-thiomorpholin-4-ylaniline
CID 67763024
1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
CID 63787448
N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
CID 43281422
N-ethyl-1-[2-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 61419346
2-(1,4-thiazepan-4-yl)benzenecarbothioamide
CID 61419535
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiomorpholin-4-ylaniline?
The IUPAC name of N-methyl-2-thiomorpholin-4-ylaniline (CID 144901042) is N-methyl-2-thiomorpholin-4-ylaniline.
What is the SMILES notation for N-methyl-2-thiomorpholin-4-ylaniline?
The canonical SMILES for N-methyl-2-thiomorpholin-4-ylaniline is CNc1ccccc1N1CCSCC1.
What is the InChIKey of N-methyl-2-thiomorpholin-4-ylaniline?
The InChIKey is FJADLMDZRWGSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-12-10-4-2-3-5-11(10)13-6-8-14-9-7-13/h2-5,12H,6-9H2,1H3.
What are the key properties of N-methyl-2-thiomorpholin-4-ylaniline?
N-methyl-2-thiomorpholin-4-ylaniline has a molecular weight of 208.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiomorpholin-4-ylaniline is sourced from PubChem (CID 144901042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).