N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide

C13H17NO3S — CID 90635504

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc2CO1)C1CC1
InChIInChI=1S/C13H17NO3S/c15-18(16,13-5-6-13)14-8-12-7-10-3-1-2-4-11(10)9-17-12/h1-4,12-14H,5-9H2
InChIKeyQIDSNROJRMDAOG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.21
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide (PubChem CID 90635504) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide
PubChem CID90635504
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc2CO1)C1CC1
InChIInChI=1S/C13H17NO3S/c15-18(16,13-5-6-13)14-8-12-7-10-3-1-2-4-11(10)9-17-12/h1-4,12-14H,5-9H2
InChIKeyQIDSNROJRMDAOG-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.21
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-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide (CID 90635504) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide is O=S(=O)(NCC1Cc2ccccc2CO1)C1CC1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide?
The InChIKey is QIDSNROJRMDAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-18(16,13-5-6-13)14-8-12-7-10-3-1-2-4-11(10)9-17-12/h1-4,12-14H,5-9H2.
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide is sourced from PubChem (CID 90635504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).