N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide

C15H21N3O2S — CID 106154222

IUPACN-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
SMILESCC(CN)CCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H21N3O2S/c1-12(10-16)4-3-8-18-21(19,20)15-6-2-5-13-11-17-9-7-14(13)15/h2,5-7,9,11-12,18H,3-4,8,10,16H2,1H3
InChIKeyRVNMTCFBKSIIKI-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.89
Rot. Bonds7

About N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide

N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide (PubChem CID 106154222) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
PubChem CID106154222
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
SMILESCC(CN)CCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H21N3O2S/c1-12(10-16)4-3-8-18-21(19,20)15-6-2-5-13-11-17-9-7-14(13)15/h2,5-7,9,11-12,18H,3-4,8,10,16H2,1H3
InChIKeyRVNMTCFBKSIIKI-UHFFFAOYSA-N
XLogP1.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
N-(3-cyanopropyl)isoquinoline-5-sulfonamide
CID 55102562
N-[3-(2-aminoethoxy)propyl]isoquinoline-5-sulfonamide
CID 106308158
N-(3-chloro-4-methoxybutyl)isoquinoline-5-sulfonamide
CID 106245479
N-hex-5-ynylisoquinoline-5-sulfonamide
CID 103756893
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
3-(isoquinolin-5-ylsulfonylamino)-2-methylpropanethioamide
CID 62667668
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
2-amino-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-N-propylacetamide
CID 71132062
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
CID 106154282
N-(2-aminoethyl)isoquinoline-8-sulfonamide
CID 14820604

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide (CID 106154222) is N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide is CC(CN)CCCNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide?
The InChIKey is RVNMTCFBKSIIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12(10-16)4-3-8-18-21(19,20)15-6-2-5-13-11-17-9-7-14(13)15/h2,5-7,9,11-12,18H,3-4,8,10,16H2,1H3.
What are the key properties of N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide?
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 106154222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).