1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine

C19H27ClN2O2S — CID 112823412

IUPAC1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
SMILESClc1cc(CNCC2(N3CCSCC3)CCCC2)cc2c1OCCO2
InChIInChI=1S/C19H27ClN2O2S/c20-16-11-15(12-17-18(16)24-8-7-23-17)13-21-14-19(3-1-2-4-19)22-5-9-25-10-6-22/h11-12,21H,1-10,13-14H2
InChIKeyADEUGCJBNMQROI-UHFFFAOYSA-N
MW382.96 g/mol
LogP3.56
Rot. Bonds5

About 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine

1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine (PubChem CID 112823412) has the molecular formula C19H27ClN2O2S and a molecular weight of 382.96 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
PubChem CID112823412
Molecular FormulaC19H27ClN2O2S
Molecular Weight382.96 g/mol
Exact Mass382.15
IUPAC Name1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
SMILESClc1cc(CNCC2(N3CCSCC3)CCCC2)cc2c1OCCO2
InChIInChI=1S/C19H27ClN2O2S/c20-16-11-15(12-17-18(16)24-8-7-23-17)13-21-14-19(3-1-2-4-19)22-5-9-25-10-6-22/h11-12,21H,1-10,13-14H2
InChIKeyADEUGCJBNMQROI-UHFFFAOYSA-N
XLogP3.56
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.96
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine with MolForge

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Related Compounds

1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129275
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
CID 39176126
1-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934749
7-chloro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 36556252
4-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]oxan-4-ol
CID 78928490
2-[1-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750205
1-[[(7-chloro-1,3-benzodioxol-5-yl)methylamino]methyl]cycloheptan-1-ol
CID 65123381
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43217065
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpropan-1-amine
CID 43087517
N'-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propane-1,3-diamine
CID 60889915
1-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913380
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97018276

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine (CID 112823412) is 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine is Clc1cc(CNCC2(N3CCSCC3)CCCC2)cc2c1OCCO2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine?
The InChIKey is ADEUGCJBNMQROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2S/c20-16-11-15(12-17-18(16)24-8-7-23-17)13-21-14-19(3-1-2-4-19)22-5-9-25-10-6-22/h11-12,21H,1-10,13-14H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine?
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine has a molecular weight of 382.96 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 112823412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).