N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide

C15H21NO4S — CID 10519111

IUPACN-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1OC1CCCCO1)CCC2
InChIInChI=1S/C15H21NO4S/c1-21(17,18)16-13-9-11-5-4-6-12(11)10-14(13)20-15-7-2-3-8-19-15/h9-10,15-16H,2-8H2,1H3
InChIKeyJBKFDAOLEOOUMV-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.45
Rot. Bonds4

About N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide

N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide (PubChem CID 10519111) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
PubChem CID10519111
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1OC1CCCCO1)CCC2
InChIInChI=1S/C15H21NO4S/c1-21(17,18)16-13-9-11-5-4-6-12(11)10-14(13)20-15-7-2-3-8-19-15/h9-10,15-16H,2-8H2,1H3
InChIKeyJBKFDAOLEOOUMV-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
(2S)-2-(2-bromo-5-methylsulfonylphenoxy)oxane
CID 125486250
methyl 3,5-bis(oxan-2-yloxy)benzoate
CID 21305399
N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
CID 57195670
2-(2,5-dimethylphenoxy)oxane
CID 15305690
6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
CID 129395002
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
methyl 3-methyl-2-methylsulfonyloxy-4-(oxan-2-yloxy)benzoate
CID 101021627
N-(6-phenoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonamide
CID 13069209
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274

Frequently Asked Questions

What is the IUPAC name of N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide (CID 10519111) is N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1OC1CCCCO1)CCC2.
What is the InChIKey of N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The InChIKey is JBKFDAOLEOOUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-21(17,18)16-13-9-11-5-4-6-12(11)10-14(13)20-15-7-2-3-8-19-15/h9-10,15-16H,2-8H2,1H3.
What are the key properties of N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(oxan-2-yloxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide is sourced from PubChem (CID 10519111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).