N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide

C11H17N3O3S — CID 72718831

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide
SMILESCn1nc(CNS(=O)(=O)C2CC2)c2c1CCOC2
InChIInChI=1S/C11H17N3O3S/c1-14-11-4-5-17-7-9(11)10(13-14)6-12-18(15,16)8-2-3-8/h8,12H,2-7H2,1H3
InChIKeySIFRHWQXIHOMDR-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.07
Rot. Bonds4

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide (PubChem CID 72718831) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide
PubChem CID72718831
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide
SMILESCn1nc(CNS(=O)(=O)C2CC2)c2c1CCOC2
InChIInChI=1S/C11H17N3O3S/c1-14-11-4-5-17-7-9(11)10(13-14)6-12-18(15,16)8-2-3-8/h8,12H,2-7H2,1H3
InChIKeySIFRHWQXIHOMDR-UHFFFAOYSA-N
XLogP0.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide (CID 72718831) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide is Cn1nc(CNS(=O)(=O)C2CC2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide?
The InChIKey is SIFRHWQXIHOMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-14-11-4-5-17-7-9(11)10(13-14)6-12-18(15,16)8-2-3-8/h8,12H,2-7H2,1H3.
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 72718831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).