1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine

C12H15NO4S — CID 117037486

IUPAC1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(S(=O)(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C12H15NO4S/c1-13-7-12(4-5-12)18(14,15)9-2-3-10-11(6-9)17-8-16-10/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyJRMIONOBMSZXBW-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.94
Rot. Bonds4

About 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine

1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine (PubChem CID 117037486) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine
PubChem CID117037486
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(S(=O)(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C12H15NO4S/c1-13-7-12(4-5-12)18(14,15)9-2-3-10-11(6-9)17-8-16-10/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyJRMIONOBMSZXBW-UHFFFAOYSA-N
XLogP0.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine
CID 117036355
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642725
1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929385
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpropan-1-amine
CID 64644872
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110359364
N-[(4-ethylphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110779544
N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide
CID 110872894
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
1,3-benzodioxol-5-yl-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943952
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine (CID 117037486) is 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine is CNCC1(S(=O)(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is JRMIONOBMSZXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-13-7-12(4-5-12)18(14,15)9-2-3-10-11(6-9)17-8-16-10/h2-3,6,13H,4-5,7-8H2,1H3.
What are the key properties of 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine?
1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 269.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-ylsulfonyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 117037486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).