N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide

C15H23NO3S — CID 62520343

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO3S/c1-3-15(4-2,11-17)16-20(18,19)14-9-8-12-6-5-7-13(12)10-14/h8-10,16-17H,3-7,11H2,1-2H3
InChIKeyDIWRUDMYPNLUOV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.00
Rot. Bonds6

About N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 62520343) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID62520343
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO3S/c1-3-15(4-2,11-17)16-20(18,19)14-9-8-12-6-5-7-13(12)10-14/h8-10,16-17H,3-7,11H2,1-2H3
InChIKeyDIWRUDMYPNLUOV-UHFFFAOYSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114293826
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65112897
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853101
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
4-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-nitrobenzenesulfonamide
CID 107865153
3-cyano-4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107865863

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 62520343) is N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide is CCC(CC)(CO)NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is DIWRUDMYPNLUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-15(4-2,11-17)16-20(18,19)14-9-8-12-6-5-7-13(12)10-14/h8-10,16-17H,3-7,11H2,1-2H3.
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 62520343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).