N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide

C18H25BrN2OS — CID 118279654

IUPACN-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)CC(NS(=O)C(C)(C)C)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C18H25BrN2OS/c1-12(2)10-17(21-23(22)18(3,4)5)16-8-6-13-11-14(19)7-9-15(13)20-16/h6-9,11-12,17,21H,10H2,1-5H3
InChIKeyAMHNYHNOTAGPSR-UHFFFAOYSA-N
MW397.38 g/mol
LogP5.14
Rot. Bonds5

About N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide

N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide (PubChem CID 118279654) has the molecular formula C18H25BrN2OS and a molecular weight of 397.38 g/mol. Its IUPAC name is N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
PubChem CID118279654
Molecular FormulaC18H25BrN2OS
Molecular Weight397.38 g/mol
Exact Mass396.09
IUPAC NameN-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)CC(NS(=O)C(C)(C)C)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C18H25BrN2OS/c1-12(2)10-17(21-23(22)18(3,4)5)16-8-6-13-11-14(19)7-9-15(13)20-16/h6-9,11-12,17,21H,10H2,1-5H3
InChIKeyAMHNYHNOTAGPSR-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.38
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol
CID 118279687
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 118582712
(S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 163225327
N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 118391797
(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 124640307
(S)-N-[(1S)-1-(4-bromoquinolin-2-yl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 142402493
N-[(1R)-1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 126531678
N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 118663891
N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 139519265
N-[1-(5-bromo-2-fluorophenyl)-3-hydroxypropyl]-2-methylpropane-2-sulfinamide;fluoromethane
CID 144693188
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
methyl (3S)-3-amino-3-(6-bromoquinolin-2-yl)propanoate
CID 165347669

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide (CID 118279654) is N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide is CC(C)CC(NS(=O)C(C)(C)C)c1ccc2cc(Br)ccc2n1.
What is the InChIKey of N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is AMHNYHNOTAGPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2OS/c1-12(2)10-17(21-23(22)18(3,4)5)16-8-6-13-11-14(19)7-9-15(13)20-16/h6-9,11-12,17,21H,10H2,1-5H3.
What are the key properties of N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 397.38 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118279654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).