N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide

C17H25N3O3S — CID 119971209

IUPACN-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H25N3O3S/c18-8-9-19-17(21)15-5-2-10-20(12-15)24(22,23)16-7-6-13-3-1-4-14(13)11-16/h6-7,11,15H,1-5,8-10,12,18H2,(H,19,21)
InChIKeyRHSAWGIGLJVJKJ-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.65
Rot. Bonds5

About N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 119971209) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID119971209
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H25N3O3S/c18-8-9-19-17(21)15-5-2-10-20(12-15)24(22,23)16-7-6-13-3-1-4-14(13)11-16/h6-7,11,15H,1-5,8-10,12,18H2,(H,19,21)
InChIKeyRHSAWGIGLJVJKJ-UHFFFAOYSA-N
XLogP0.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-(2-aminoethyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
CID 119971230
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(2-aminoethyl)-1-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
CID 119971403
N-(2-aminoethyl)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971084
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971495
N-(2-aminoethyl)-1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 119971336
N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971164
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide (CID 119971209) is N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is RHSAWGIGLJVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c18-8-9-19-17(21)15-5-2-10-20(12-15)24(22,23)16-7-6-13-3-1-4-14(13)11-16/h6-7,11,15H,1-5,8-10,12,18H2,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119971209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).