N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide

C14H22N2O2S — CID 43136904

IUPACN-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCN(CCCN)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H22N2O2S/c1-2-16(10-4-9-15)19(17,18)14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,2-6,9-10,15H2,1H3
InChIKeyMFPRDOKAQMIXDQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.53
Rot. Bonds6

About N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide

N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 43136904) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID43136904
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCN(CCCN)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H22N2O2S/c1-2-16(10-4-9-15)19(17,18)14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,2-6,9-10,15H2,1H3
InChIKeyMFPRDOKAQMIXDQ-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide 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-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 54878655
methyl 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(ethyl)amino]acetate
CID 61384140
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
N-(2-aminoethyl)-N-propan-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348755
N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 120584317
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107483562
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 43136907
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
CID 43084240
3-(aminomethyl)-N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63288066

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide (CID 43136904) is N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide is CCN(CCCN)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is MFPRDOKAQMIXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-16(10-4-9-15)19(17,18)14-8-7-12-5-3-6-13(12)11-14/h7-8,11H,2-6,9-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide?
N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 43136904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).