N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide

C15H21N3O2S — CID 115752345

IUPACN-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
SMILESCC(C)NCCCNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C15H21N3O2S/c1-12(2)16-10-5-11-18-21(19,20)15-8-3-7-14-13(15)6-4-9-17-14/h3-4,6-9,12,16,18H,5,10-11H2,1-2H3
InChIKeyLVBJQUROKUJKGU-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.90
Rot. Bonds7

About N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide

N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide (PubChem CID 115752345) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
PubChem CID115752345
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
SMILESCC(C)NCCCNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C15H21N3O2S/c1-12(2)16-10-5-11-18-21(19,20)15-8-3-7-14-13(15)6-4-9-17-14/h3-4,6-9,12,16,18H,5,10-11H2,1-2H3
InChIKeyLVBJQUROKUJKGU-UHFFFAOYSA-N
XLogP1.90
TPSA71.09 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 ≤ 51.90
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-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
4-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773649
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide
CID 106243751
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
CID 115701460
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide
CID 86780686
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide?
The IUPAC name of N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide (CID 115752345) is N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide?
The canonical SMILES for N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide is CC(C)NCCCNS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide?
The InChIKey is LVBJQUROKUJKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12(2)16-10-5-11-18-21(19,20)15-8-3-7-14-13(15)6-4-9-17-14/h3-4,6-9,12,16,18H,5,10-11H2,1-2H3.
What are the key properties of N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide?
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide is sourced from PubChem (CID 115752345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).