N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide

C13H15NO2S — CID 156963728

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
SMILESC#CCN(C1CCc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C13H15NO2S/c1-3-10-14(17(2,15)16)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3
InChIKeyUSVOYPBHYXTDPH-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.57
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide (PubChem CID 156963728) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
PubChem CID156963728
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
SMILESC#CCN(C1CCc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C13H15NO2S/c1-3-10-14(17(2,15)16)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3
InChIKeyUSVOYPBHYXTDPH-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylsulfamic acid
CID 125404549
2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)sulfamic acid
CID 170458147
N,N-bis(prop-2-ynyl)-2,3-dihydro-1H-inden-1-amine;methanesulfonate
CID 175678918
N-(2,3-dihydro-1H-inden-1-yl)-1,1,1-trifluoro-N-prop-2-ynylmethanesulfonamide
CID 155124468
(1S)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 95899787
propan-2-yl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-prop-2-ynylcarbamate
CID 46189995
[2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)carbamoyl]oxymethyl pentanoate
CID 154975284
methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;hydrate
CID 140668931
N-(2-(18F)fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 53472295
N-(2-fluoroethyl)-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 53472248
N-(1,3-benzoxazol-2-ylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 55735190
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691703

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide (CID 156963728) is N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide is C#CCN(C1CCc2ccccc21)S(C)(=O)=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide?
The InChIKey is USVOYPBHYXTDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-3-10-14(17(2,15)16)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide has a molecular weight of 249.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide is sourced from PubChem (CID 156963728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).