N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C18H22N2O2S — CID 11638501

IUPACN-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCc1cncc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)c1
InChIInChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-8-15-5-4-14(7-16(15)9-18)17-6-13(3)10-19-11-17/h4-7,10-12,18,20H,8-9H2,1-3H3/t18-/m0/s1
InChIKeyKUWIIWVRPMFRPU-SFHVURJKSA-N
MW330.45 g/mol
LogP2.85
Rot. Bonds4

About N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 11638501) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID11638501
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCc1cncc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)c1
InChIInChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-8-15-5-4-14(7-16(15)9-18)17-6-13(3)10-19-11-17/h4-7,10-12,18,20H,8-9H2,1-3H3/t18-/m0/s1
InChIKeyKUWIIWVRPMFRPU-SFHVURJKSA-N
XLogP2.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 11602149
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11681775
N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride
CID 131729713
N-[5-(2-fluoro-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68569807
5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine
CID 114081094
N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 88851219
1-[[2-(propan-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 67088171
N-[(3S,4R)-4-[4-(5-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
CID 52947618
3-methyl-5-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 143453970
3-methyl-5-(4-methylsulfinylphenyl)pyridine
CID 91212115
N-(5-bromo-2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 70291277
N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide
CID 163973001

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 11638501) is N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is Cc1cncc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)c1.
What is the InChIKey of N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is KUWIIWVRPMFRPU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-8-15-5-4-14(7-16(15)9-18)17-6-13(3)10-19-11-17/h4-7,10-12,18,20H,8-9H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 11638501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).