N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide

C19H17N3OS — CID 145075553

IUPACN-isoquinolin-5-yl-7-methylazecine-3-sulfinamide
SMILESCc1cccncc(S(=O)Nc2cccc3cnccc23)ccc1
InChIInChI=1S/C19H17N3OS/c1-15-5-2-8-17(14-20-11-4-6-15)24(23)22-19-9-3-7-16-13-21-12-10-18(16)19/h2-14,22H,1H3/b5-2+,6-4-,8-2-,11-4-,15-5+,15-6-,17-8+,17-14+,20-11+,20-14+
InChIKeyUXALAZZBGMBITI-HZCRZUDGSA-N
MW335.43 g/mol
LogP4.20
Rot. Bonds3

About N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide

N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide (PubChem CID 145075553) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-7-methylazecine-3-sulfinamide
PubChem CID145075553
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-isoquinolin-5-yl-7-methylazecine-3-sulfinamide
SMILESCc1cccncc(S(=O)Nc2cccc3cnccc23)ccc1
InChIInChI=1S/C19H17N3OS/c1-15-5-2-8-17(14-20-11-4-6-15)24(23)22-19-9-3-7-16-13-21-12-10-18(16)19/h2-14,22H,1H3/b5-2+,6-4-,8-2-,11-4-,15-5+,15-6-,17-8+,17-14+,20-11+,20-14+
InChIKeyUXALAZZBGMBITI-HZCRZUDGSA-N
XLogP4.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide?
The IUPAC name of N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide (CID 145075553) is N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide.
What is the SMILES notation for N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide?
The canonical SMILES for N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide is Cc1cccncc(S(=O)Nc2cccc3cnccc23)ccc1.
What is the InChIKey of N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide?
The InChIKey is UXALAZZBGMBITI-HZCRZUDGSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-15-5-2-8-17(14-20-11-4-6-15)24(23)22-19-9-3-7-16-13-21-12-10-18(16)19/h2-14,22H,1H3/b5-2+,6-4-,8-2-,11-4-,15-5+,15-6-,17-8+,17-14+,20-11+,20-14+.
What are the key properties of N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide?
N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide has a molecular weight of 335.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-7-methylazecine-3-sulfinamide is sourced from PubChem (CID 145075553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).