N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C14H19NO4S2 — CID 94008867

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C14H19NO4S2/c16-20(17)7-6-11(10-20)9-15-21(18,19)14-5-4-12-2-1-3-13(12)8-14/h4-5,8,11,15H,1-3,6-7,9-10H2/t11-/m1/s1
InChIKeyBYADILCYSCZTGI-LLVKDONJSA-N
MW329.44 g/mol
LogP0.89
Rot. Bonds4

About N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 94008867) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID94008867
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C14H19NO4S2/c16-20(17)7-6-11(10-20)9-15-21(18,19)14-5-4-12-2-1-3-13(12)8-14/h4-5,8,11,15H,1-3,6-7,9-10H2/t11-/m1/s1
InChIKeyBYADILCYSCZTGI-LLVKDONJSA-N
XLogP0.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide with MolForge

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Related Compounds

N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110419004
N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136147
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136241
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818
3-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 47023234
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 8891900
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106016768
ethyl 4-[[(3R)-1,1-dioxothiolan-3-yl]methylsulfamoyl]benzoate
CID 52512736
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95144968

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 94008867) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is BYADILCYSCZTGI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4S2/c16-20(17)7-6-11(10-20)9-15-21(18,19)14-5-4-12-2-1-3-13(12)8-14/h4-5,8,11,15H,1-3,6-7,9-10H2/t11-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 329.44 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 94008867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).