N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide

C12H18N2O2S — CID 165486719

IUPACN-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc2c1CCC2N
InChIInChI=1S/C12H18N2O2S/c1-2-8-17(15,16)14-12-5-3-4-9-10(12)6-7-11(9)13/h3-5,11,14H,2,6-8,13H2,1H3
InChIKeyBRCHPLRAMIZPPY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.78
Rot. Bonds4

About N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide

N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide (PubChem CID 165486719) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide
PubChem CID165486719
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc2c1CCC2N
InChIInChI=1S/C12H18N2O2S/c1-2-8-17(15,16)14-12-5-3-4-9-10(12)6-7-11(9)13/h3-5,11,14H,2,6-8,13H2,1H3
InChIKeyBRCHPLRAMIZPPY-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide (CID 165486719) is N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc2c1CCC2N.
What is the InChIKey of N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide?
The InChIKey is BRCHPLRAMIZPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-8-17(15,16)14-12-5-3-4-9-10(12)6-7-11(9)13/h3-5,11,14H,2,6-8,13H2,1H3.
What are the key properties of N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide?
N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 165486719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).