N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride

C19H27ClN2O3S — CID 119457125

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
SMILESCl.O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC1CC2CCC(C1)N2
InChIInChI=1S/C19H26N2O3S.ClH/c22-19(21-17-11-15-5-6-16(12-17)20-15)8-9-25(23,24)18-7-4-13-2-1-3-14(13)10-18;/h4,7,10,15-17,20H,1-3,5-6,8-9,11-12H2,(H,21,22);1H
InChIKeyCWLUBXPKSPTSMA-UHFFFAOYSA-N
MW398.96 g/mol
LogP2.16
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride (PubChem CID 119457125) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
PubChem CID119457125
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
SMILESCl.O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC1CC2CCC(C1)N2
InChIInChI=1S/C19H26N2O3S.ClH/c22-19(21-17-11-15-5-6-16(12-17)20-15)8-9-25(23,24)18-7-4-13-2-1-3-14(13)10-18;/h4,7,10,15-17,20H,1-3,5-6,8-9,11-12H2,(H,21,22);1H
InChIKeyCWLUBXPKSPTSMA-UHFFFAOYSA-N
XLogP2.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97011943
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
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methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclopentylsulfonylpropanamide
CID 119458802
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
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride (CID 119457125) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride is Cl.O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The InChIKey is CWLUBXPKSPTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S.ClH/c22-19(21-17-11-15-5-6-16(12-17)20-15)8-9-25(23,24)18-7-4-13-2-1-3-14(13)10-18;/h4,7,10,15-17,20H,1-3,5-6,8-9,11-12H2,(H,21,22);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride has a molecular weight of 398.96 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride is sourced from PubChem (CID 119457125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).