3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine

C12H16ClNOS — CID 117034360

IUPAC3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
SMILESCc1cc(SCC2COCCN2)ccc1Cl
InChIInChI=1S/C12H16ClNOS/c1-9-6-11(2-3-12(9)13)16-8-10-7-15-5-4-14-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyZUDGZYDRIWGARN-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.73
Rot. Bonds3

About 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine

3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine (PubChem CID 117034360) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
PubChem CID117034360
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
SMILESCc1cc(SCC2COCCN2)ccc1Cl
InChIInChI=1S/C12H16ClNOS/c1-9-6-11(2-3-12(9)13)16-8-10-7-15-5-4-14-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyZUDGZYDRIWGARN-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
CID 117034338
3-[(4-ethylphenyl)sulfanylmethyl]morpholine
CID 117034341
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
CID 117034352
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
2-(3-chloro-4-methylphenyl)-1-morpholin-3-ylpropan-2-ol
CID 107559679
3-(3,4-dimethylphenyl)sulfanylmorpholine
CID 117034214
3-(3,4-dichlorophenyl)sulfanylmorpholine
CID 117034223
3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
CID 116928267
3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462311
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine?
The IUPAC name of 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine (CID 117034360) is 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine.
What is the SMILES notation for 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine?
The canonical SMILES for 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine is Cc1cc(SCC2COCCN2)ccc1Cl.
What is the InChIKey of 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine?
The InChIKey is ZUDGZYDRIWGARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-9-6-11(2-3-12(9)13)16-8-10-7-15-5-4-14-10/h2-3,6,10,14H,4-5,7-8H2,1H3.
What are the key properties of 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine?
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine has a molecular weight of 257.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine is sourced from PubChem (CID 117034360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).