N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide

C16H20N2O2S2 — CID 141217723

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide
SMILESCC(C)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1nccs1
InChIInChI=1S/C16H20N2O2S2/c1-12(2)11-18(22(19,20)16-17-8-9-21-16)15-7-6-13-4-3-5-14(13)10-15/h6-10,12H,3-5,11H2,1-2H3
InChIKeyCPWWPGIYGNVNNT-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.48
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide

N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide (PubChem CID 141217723) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide
PubChem CID141217723
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide
SMILESCC(C)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1nccs1
InChIInChI=1S/C16H20N2O2S2/c1-12(2)11-18(22(19,20)16-17-8-9-21-16)15-7-6-13-4-3-5-14(13)10-15/h6-10,12H,3-5,11H2,1-2H3
InChIKeyCPWWPGIYGNVNNT-UHFFFAOYSA-N
XLogP3.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide
CID 151592049
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-2-sulfonamide
CID 141057828
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide
CID 141057830
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716108
N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine
CID 11140465
N-(3-hydroxyphenyl)-N-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 136534341
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(2,2-dimethoxyethyl)methanesulfonamide
CID 141021189
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 117031949
N-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
CID 115190982
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
N-(2-aminoethyl)-N-propan-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348755
N-methyl-2-(3-methylbutanoyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70708718

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide (CID 141217723) is N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide is CC(C)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1nccs1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide?
The InChIKey is CPWWPGIYGNVNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12(2)11-18(22(19,20)16-17-8-9-21-16)15-7-6-13-4-3-5-14(13)10-15/h6-10,12H,3-5,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 141217723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).