N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine

C10H13NO4S — CID 117036355

IUPACN-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine
SMILESCCNCS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO4S/c1-2-11-6-16(12,13)8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3
InChIKeyAZPLJLGKDHEOLW-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.76
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine

N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine (PubChem CID 117036355) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine
PubChem CID117036355
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine
SMILESCCNCS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO4S/c1-2-11-6-16(12,13)8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3
InChIKeyAZPLJLGKDHEOLW-UHFFFAOYSA-N
XLogP0.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-ylsulfonyl)butan-1-amine
CID 28753441
N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine
CID 117036346
N-[(4-ethylphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110779544
N-[2-(ethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119973711
N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide
CID 110872894
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)cyclopropanamine
CID 117036428
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-ethylbutan-2-amine
CID 64645474
1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine
CID 117037486
2-[2-(1,3-benzodioxol-5-ylsulfonyl)ethoxy]ethanamine
CID 94697951

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine (CID 117036355) is N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine is CCNCS(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine?
The InChIKey is AZPLJLGKDHEOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-11-6-16(12,13)8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine?
N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine has a molecular weight of 243.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine is sourced from PubChem (CID 117036355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).