N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide

C16H19N3O2S — CID 124514745

IUPACN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCN[C@H]1CCc2ccccc21)c1cccnc1
InChIInChI=1S/C16H19N3O2S/c20-22(21,14-5-3-9-17-12-14)19-11-10-18-16-8-7-13-4-1-2-6-15(13)16/h1-6,9,12,16,18-19H,7-8,10-11H2/t16-/m0/s1
InChIKeyHHKOMVHXIGFTCL-INIZCTEOSA-N
MW317.41 g/mol
LogP1.64
Rot. Bonds6

About N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide

N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide (PubChem CID 124514745) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide
PubChem CID124514745
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCN[C@H]1CCc2ccccc21)c1cccnc1
InChIInChI=1S/C16H19N3O2S/c20-22(21,14-5-3-9-17-12-14)19-11-10-18-16-8-7-13-4-1-2-6-15(13)16/h1-6,9,12,16,18-19H,7-8,10-11H2/t16-/m0/s1
InChIKeyHHKOMVHXIGFTCL-INIZCTEOSA-N
XLogP1.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]ethyl]pyridine-3-sulfonamide
CID 99837876
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 94078717
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
N-propylpyridine-3-sulfonamide
CID 43258995
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide (CID 124514745) is N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCN[C@H]1CCc2ccccc21)c1cccnc1.
What is the InChIKey of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is HHKOMVHXIGFTCL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,14-5-3-9-17-12-14)19-11-10-18-16-8-7-13-4-1-2-6-15(13)16/h1-6,9,12,16,18-19H,7-8,10-11H2/t16-/m0/s1.
What are the key properties of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide?
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 124514745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).