2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide

C15H23N3O2S — CID 106087856

IUPAC2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C15H23N3O2S/c16-11-15-7-3-4-8-18(15)21(19,20)17-14-9-12-5-1-2-6-13(12)10-14/h1-2,5-6,14-15,17H,3-4,7-11,16H2
InChIKeyHAZZXJUZQDRJSG-UHFFFAOYSA-N
MW309.43 g/mol
LogP0.80
Rot. Bonds4

About 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide (PubChem CID 106087856) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
PubChem CID106087856
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C15H23N3O2S/c16-11-15-7-3-4-8-18(15)21(19,20)17-14-9-12-5-1-2-6-13(12)10-14/h1-2,5-6,14-15,17H,3-4,7-11,16H2
InChIKeyHAZZXJUZQDRJSG-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
CID 106003416
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
CID 106089660
2-(aminomethyl)-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide
CID 114141914
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide (CID 106087856) is 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide?
The InChIKey is HAZZXJUZQDRJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c16-11-15-7-3-4-8-18(15)21(19,20)17-14-9-12-5-1-2-6-13(12)10-14/h1-2,5-6,14-15,17H,3-4,7-11,16H2.
What are the key properties of 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide has a molecular weight of 309.43 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106087856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).