4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine

C15H23NO2S — CID 30982621

IUPAC4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
SMILESCOc1ccc(C[C@H](C)N2CCSCC2)cc1OC
InChIInChI=1S/C15H23NO2S/c1-12(16-6-8-19-9-7-16)10-13-4-5-14(17-2)15(11-13)18-3/h4-5,11-12H,6-10H2,1-3H3/t12-/m0/s1
InChIKeyLXMGNIOMQUZFBD-LBPRGKRZSA-N
MW281.42 g/mol
LogP2.68
Rot. Bonds5

About 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine

4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine (PubChem CID 30982621) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
PubChem CID30982621
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
SMILESCOc1ccc(C[C@H](C)N2CCSCC2)cc1OC
InChIInChI=1S/C15H23NO2S/c1-12(16-6-8-19-9-7-16)10-13-4-5-14(17-2)15(11-13)18-3/h4-5,11-12H,6-10H2,1-3H3/t12-/m0/s1
InChIKeyLXMGNIOMQUZFBD-LBPRGKRZSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol
CID 40514865
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-ethylpiperazine
CID 30982426
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine
CID 10134641
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
CID 2846456
ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
CID 23960975
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine
CID 103575485
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
4-(3-chloro-2-methylpentyl)-1,2-dimethoxybenzene
CID 79307803
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine?
The IUPAC name of 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine (CID 30982621) is 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine.
What is the SMILES notation for 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine?
The canonical SMILES for 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine is COc1ccc(C[C@H](C)N2CCSCC2)cc1OC.
What is the InChIKey of 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine?
The InChIKey is LXMGNIOMQUZFBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(16-6-8-19-9-7-16)10-13-4-5-14(17-2)15(11-13)18-3/h4-5,11-12H,6-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine?
4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine has a molecular weight of 281.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine is sourced from PubChem (CID 30982621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).