N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H20N2O2S — CID 107422322

IUPACN-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H20N2O2S/c1-4-7-16(11(2)3)19(17,18)14-6-5-12-9-15-10-13(12)8-14/h4-6,8,11,15H,1,7,9-10H2,2-3H3
InChIKeyCVUATLPVSGPROP-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.87
Rot. Bonds5

About N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide

N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422322) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422322
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H20N2O2S/c1-4-7-16(11(2)3)19(17,18)14-6-5-12-9-15-10-13(12)8-14/h4-6,8,11,15H,1,7,9-10H2,2-3H3
InChIKeyCVUATLPVSGPROP-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
3-(Fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
N,N-dimethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573156
7-(pyrrolidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44573221
3-(fluoromethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10108068
3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10634951
N-ethyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11196556
(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid ethylamide
CID 11312887
(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid propylamide
CID 11438678
(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid amide
CID 11460195
N-propyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573216
N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573219

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422322) is N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide is C=CCN(C(C)C)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is CVUATLPVSGPROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-7-16(11(2)3)19(17,18)14-6-5-12-9-15-10-13(12)8-14/h4-6,8,11,15H,1,7,9-10H2,2-3H3.
What are the key properties of N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).