N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

C21H29N3O2S — CID 10271568

IUPACN-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESNCc1ccc(CCCNCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H29N3O2S/c22-16-18-8-6-17(7-9-18)3-2-12-23-13-14-24-27(25,26)21-11-10-19-4-1-5-20(19)15-21/h6-11,15,23-24H,1-5,12-14,16,22H2
InChIKeyFVIQCYPEJUJZQG-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.13
Rot. Bonds10

About N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 10271568) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID10271568
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESNCc1ccc(CCCNCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H29N3O2S/c22-16-18-8-6-17(7-9-18)3-2-12-23-13-14-24-27(25,26)21-11-10-19-4-1-5-20(19)15-21/h6-11,15,23-24H,1-5,12-14,16,22H2
InChIKeyFVIQCYPEJUJZQG-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,3-Dihydro-1H-inden-5-yl)sulfonyl]piperazine
CID 2443018
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10111743
N-(2-((3-(4-(aminomethyl)phenyl)propyl)(methyl)amino)ethyl)naphthalene-2-sulfonamide
CID 10112313
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)naphthalene-2-sulfonamide
CID 10294248
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)benzenesulfonamide
CID 44411626
2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 44600308
4-[2-[(4-Methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718087
N-(2-(4-(aminomethyl)phenethylamino)ethyl)naphthalene-2-sulfonamide
CID 44411828
N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573219
N',N'-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]ethane-1,2-diamine
CID 53465488
4-[[(4-Tert-butylphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
CID 90656457
4-[2-[(4-Tert-butylphenyl)methylamino]ethyl]benzenesulfonamide
CID 90656465

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 10271568) is N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is FVIQCYPEJUJZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c22-16-18-8-6-17(7-9-18)3-2-12-23-13-14-24-27(25,26)21-11-10-19-4-1-5-20(19)15-21/h6-11,15,23-24H,1-5,12-14,16,22H2.
What are the key properties of N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 387.55 g/mol, XLogP of 2.13, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 10271568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).