N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide

C20H27N3O3S — CID 99818902

IUPACN-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc2cnccc12)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C20H27N3O3S/c1-16(20(8-2-3-9-20)23-11-13-26-14-12-23)22-27(24,25)19-6-4-5-17-15-21-10-7-18(17)19/h4-7,10,15-16,22H,2-3,8-9,11-14H2,1H3/t16-/m0/s1
InChIKeyITYZBLUKSNEZOF-INIZCTEOSA-N
MW389.52 g/mol
LogP2.55
Rot. Bonds5

About N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide

N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide (PubChem CID 99818902) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide
PubChem CID99818902
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc2cnccc12)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C20H27N3O3S/c1-16(20(8-2-3-9-20)23-11-13-26-14-12-23)22-27(24,25)19-6-4-5-17-15-21-10-7-18(17)19/h4-7,10,15-16,22H,2-3,8-9,11-14H2,1H3/t16-/m0/s1
InChIKeyITYZBLUKSNEZOF-INIZCTEOSA-N
XLogP2.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide?
The IUPAC name of N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide (CID 99818902) is N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide?
The canonical SMILES for N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide is C[C@H](NS(=O)(=O)c1cccc2cnccc12)C1(N2CCOCC2)CCCC1.
What is the InChIKey of N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide?
The InChIKey is ITYZBLUKSNEZOF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16(20(8-2-3-9-20)23-11-13-26-14-12-23)22-27(24,25)19-6-4-5-17-15-21-10-7-18(17)19/h4-7,10,15-16,22H,2-3,8-9,11-14H2,1H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide?
N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]isoquinoline-5-sulfonamide is sourced from PubChem (CID 99818902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).