1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine

C12H17ClN2S — CID 43281436

IUPAC1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCSCC1
InChIInChI=1S/C12H17ClN2S/c1-14-9-10-11(13)3-2-4-12(10)15-5-7-16-8-6-15/h2-4,14H,5-9H2,1H3
InChIKeyZBLWDZWURMUMJL-UHFFFAOYSA-N
MW256.80 g/mol
LogP2.61
Rot. Bonds3

About 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine

1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine (PubChem CID 43281436) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
PubChem CID43281436
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCSCC1
InChIInChI=1S/C12H17ClN2S/c1-14-9-10-11(13)3-2-4-12(10)15-5-7-16-8-6-15/h2-4,14H,5-9H2,1H3
InChIKeyZBLWDZWURMUMJL-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
CID 43121109
1-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43585488
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
CID 43281338
1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 61445796
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
N-[[2-chloro-6-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060080
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
CID 62943201
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62973443

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine (CID 43281436) is 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine is CNCc1c(Cl)cccc1N1CCSCC1.
What is the InChIKey of 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine?
The InChIKey is ZBLWDZWURMUMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-14-9-10-11(13)3-2-4-12(10)15-5-7-16-8-6-15/h2-4,14H,5-9H2,1H3.
What are the key properties of 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine?
1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine has a molecular weight of 256.80 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43281436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).