N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

C15H22N2O3S — CID 119406690

IUPACN-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
SMILESNCCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O3S/c16-8-2-9-17-15(18)7-10-21(19,20)14-6-5-12-3-1-4-13(12)11-14/h5-6,11H,1-4,7-10,16H2,(H,17,18)
InChIKeyKZEGIOIPAVWYNB-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.80
Rot. Bonds7

About N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (PubChem CID 119406690) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
PubChem CID119406690
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
SMILESNCCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O3S/c16-8-2-9-17-15(18)7-10-21(19,20)14-6-5-12-3-1-4-13(12)11-14/h5-6,11H,1-4,7-10,16H2,(H,17,18)
InChIKeyKZEGIOIPAVWYNB-UHFFFAOYSA-N
XLogP0.80
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119461973
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119602669
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
(2S)-2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]hexanoic acid
CID 120614683
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119515659
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]cyclopentanecarboxamide
CID 136515996
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119618457

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (CID 119406690) is N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is NCCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The InChIKey is KZEGIOIPAVWYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c16-8-2-9-17-15(18)7-10-21(19,20)14-6-5-12-3-1-4-13(12)11-14/h5-6,11H,1-4,7-10,16H2,(H,17,18).
What are the key properties of N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is sourced from PubChem (CID 119406690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).