N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide

C16H25N3O2S — CID 71808431

IUPACN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1nn(C2CCCC2)c2c1CCCC2)C1CC1
InChIInChI=1S/C16H25N3O2S/c20-22(21,13-9-10-13)17-11-15-14-7-3-4-8-16(14)19(18-15)12-5-1-2-6-12/h12-13,17H,1-11H2
InChIKeyPRWGINALMFXNAK-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.46
Rot. Bonds5

About N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide (PubChem CID 71808431) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide
PubChem CID71808431
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1nn(C2CCCC2)c2c1CCCC2)C1CC1
InChIInChI=1S/C16H25N3O2S/c20-22(21,13-9-10-13)17-11-15-14-7-3-4-8-16(14)19(18-15)12-5-1-2-6-12/h12-13,17H,1-11H2
InChIKeyPRWGINALMFXNAK-UHFFFAOYSA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide (CID 71808431) is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide is O=S(=O)(NCc1nn(C2CCCC2)c2c1CCCC2)C1CC1.
What is the InChIKey of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide?
The InChIKey is PRWGINALMFXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-22(21,13-9-10-13)17-11-15-14-7-3-4-8-16(14)19(18-15)12-5-1-2-6-12/h12-13,17H,1-11H2.
What are the key properties of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide?
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 71808431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).