(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine

C18H23ClN4OS — CID 9464756

IUPAC(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
SMILESCn1c(SC[C@@H]2CN(Cc3ccccc3Cl)CCO2)nnc1C1CC1
InChIInChI=1S/C18H23ClN4OS/c1-22-17(13-6-7-13)20-21-18(22)25-12-15-11-23(8-9-24-15)10-14-4-2-3-5-16(14)19/h2-5,13,15H,6-12H2,1H3/t15-/m0/s1
InChIKeyGJZNOMODQOOUIB-HNNXBMFYSA-N
MW378.93 g/mol
LogP3.34
Rot. Bonds6

About (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine

(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine (PubChem CID 9464756) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
PubChem CID9464756
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
SMILESCn1c(SC[C@@H]2CN(Cc3ccccc3Cl)CCO2)nnc1C1CC1
InChIInChI=1S/C18H23ClN4OS/c1-22-17(13-6-7-13)20-21-18(22)25-12-15-11-23(8-9-24-15)10-14-4-2-3-5-16(14)19/h2-5,13,15H,6-12H2,1H3/t15-/m0/s1
InChIKeyGJZNOMODQOOUIB-HNNXBMFYSA-N
XLogP3.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine with MolForge

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Related Compounds

(2R)-4-[(2-chlorophenyl)methyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 9373218
(2R)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 26624466
(2S)-4-[(2-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 8523033
(2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine
CID 9373413
(2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine
CID 25482533
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
3-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 17448462
1-(furan-3-ylmethyl)-4-[4-methyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 26357784
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-[(2-chlorophenyl)methyl]morpholine
CID 17439346
(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine
CID 25499114
1-(2-chloro-3-phenylprop-2-enyl)-4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine
CID 74497884
2-methyl-6-[[4-[4-methyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 42398370

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine?
The IUPAC name of (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine (CID 9464756) is (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine.
What is the SMILES notation for (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine?
The canonical SMILES for (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine is Cn1c(SC[C@@H]2CN(Cc3ccccc3Cl)CCO2)nnc1C1CC1.
What is the InChIKey of (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine?
The InChIKey is GJZNOMODQOOUIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-22-17(13-6-7-13)20-21-18(22)25-12-15-11-23(8-9-24-15)10-14-4-2-3-5-16(14)19/h2-5,13,15H,6-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine?
(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine has a molecular weight of 378.93 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine is sourced from PubChem (CID 9464756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).