3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine

C14H19NO4S — CID 64906315

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4S/c1-9-11(15)3-5-14(9)20(16,17)10-2-4-12-13(8-10)19-7-6-18-12/h2,4,8-9,11,14H,3,5-7,15H2,1H3
InChIKeyFKGPRLTWBDYHIR-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.36
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine (PubChem CID 64906315) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine
PubChem CID64906315
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4S/c1-9-11(15)3-5-14(9)20(16,17)10-2-4-12-13(8-10)19-7-6-18-12/h2,4,8-9,11,14H,3,5-7,15H2,1H3
InChIKeyFKGPRLTWBDYHIR-UHFFFAOYSA-N
XLogP1.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine
CID 64904903
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
CID 63767552
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclohexan-1-one
CID 64725061
N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2142659
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)cyclopropanamine
CID 117036428
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-amine
CID 43146942
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2470338
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]ethanamine
CID 119974869

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine (CID 64906315) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine is CC1C(N)CCC1S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine?
The InChIKey is FKGPRLTWBDYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-11(15)3-5-14(9)20(16,17)10-2-4-12-13(8-10)19-7-6-18-12/h2,4,8-9,11,14H,3,5-7,15H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine?
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine has a molecular weight of 297.38 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64906315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).