(2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine

C18H24ClN5OS — CID 25482533

IUPAC(2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine
SMILESClc1ccccc1CN1CCO[C@@H](CSc2nnnn2C2CCCC2)C1
InChIInChI=1S/C18H24ClN5OS/c19-17-8-4-1-5-14(17)11-23-9-10-25-16(12-23)13-26-18-20-21-22-24(18)15-6-2-3-7-15/h1,4-5,8,15-16H,2-3,6-7,9-13H2/t16-/m1/s1
InChIKeyILARJNBSMDKXNK-MRXNPFEDSA-N
MW393.94 g/mol
LogP3.43
Rot. Bonds6

About (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine

(2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine (PubChem CID 25482533) has the molecular formula C18H24ClN5OS and a molecular weight of 393.94 g/mol. Its IUPAC name is (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name(2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine
PubChem CID25482533
Molecular FormulaC18H24ClN5OS
Molecular Weight393.94 g/mol
Exact Mass393.14
IUPAC Name(2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine
SMILESClc1ccccc1CN1CCO[C@@H](CSc2nnnn2C2CCCC2)C1
InChIInChI=1S/C18H24ClN5OS/c19-17-8-4-1-5-14(17)11-23-9-10-25-16(12-23)13-26-18-20-21-22-24(18)15-6-2-3-7-15/h1,4-5,8,15-16H,2-3,6-7,9-13H2/t16-/m1/s1
InChIKeyILARJNBSMDKXNK-MRXNPFEDSA-N
XLogP3.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 26624466
(2R)-4-[(2-chlorophenyl)methyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 9373218
(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 9464756
(2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine
CID 9373413
(2S)-4-[(2-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 8523033
N-[(2-chlorophenyl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244952
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-[(2-chlorophenyl)methyl]morpholine
CID 17439346
1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 110897654
1-benzyl-5-(oxolan-2-ylmethylsulfanyl)tetrazole
CID 47124186
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
3-chloro-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]aniline
CID 63747150

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine?
The IUPAC name of (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine (CID 25482533) is (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine.
What is the SMILES notation for (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine?
The canonical SMILES for (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine is Clc1ccccc1CN1CCO[C@@H](CSc2nnnn2C2CCCC2)C1.
What is the InChIKey of (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine?
The InChIKey is ILARJNBSMDKXNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24ClN5OS/c19-17-8-4-1-5-14(17)11-23-9-10-25-16(12-23)13-26-18-20-21-22-24(18)15-6-2-3-7-15/h1,4-5,8,15-16H,2-3,6-7,9-13H2/t16-/m1/s1.
What are the key properties of (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine?
(2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine has a molecular weight of 393.94 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine is sourced from PubChem (CID 25482533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).