N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide

C15H21N3O2S — CID 86780686

IUPACN-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C15H21N3O2S/c1-3-15(4-2,11-16)18-21(19,20)14-9-5-8-13-12(14)7-6-10-17-13/h5-10,18H,3-4,11,16H2,1-2H3
InChIKeyXGEGRKRXJHEKQG-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.03
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide (PubChem CID 86780686) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide
PubChem CID86780686
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C15H21N3O2S/c1-3-15(4-2,11-16)18-21(19,20)14-9-5-8-13-12(14)7-6-10-17-13/h5-10,18H,3-4,11,16H2,1-2H3
InChIKeyXGEGRKRXJHEKQG-UHFFFAOYSA-N
XLogP2.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773637
N-[3-(aminomethyl)pentan-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 63888983
N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide
CID 104773510
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-2-methylbenzenesulfonamide
CID 63887407
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
2-(quinolin-5-ylsulfonylamino)pentanethioamide
CID 104773636

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide (CID 86780686) is N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide is CCC(CC)(CN)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide?
The InChIKey is XGEGRKRXJHEKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-15(4-2,11-16)18-21(19,20)14-9-5-8-13-12(14)7-6-10-17-13/h5-10,18H,3-4,11,16H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide is sourced from PubChem (CID 86780686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).