N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide

C11H15NO3S — CID 47011830

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C11H15NO3S/c1-16(13,14)12-7-9-6-10-4-2-3-5-11(10)15-8-9/h2-5,9,12H,6-8H2,1H3
InChIKeyWLTSDDNRQBPPKR-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.79
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide (PubChem CID 47011830) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide
PubChem CID47011830
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C11H15NO3S/c1-16(13,14)12-7-9-6-10-4-2-3-5-11(10)15-8-9/h2-5,9,12H,6-8H2,1H3
InChIKeyWLTSDDNRQBPPKR-UHFFFAOYSA-N
XLogP0.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide (CID 47011830) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide is CS(=O)(=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide?
The InChIKey is WLTSDDNRQBPPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-16(13,14)12-7-9-6-10-4-2-3-5-11(10)15-8-9/h2-5,9,12H,6-8H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 47011830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).