N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide

C15H23BrN2OS — CID 177154659

IUPACN-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCCC1CCC1(NS(=O)C(C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C15H23BrN2OS/c1-5-11-8-9-15(11,18-20(19)14(2,3)4)13-7-6-12(16)10-17-13/h6-7,10-11,18H,5,8-9H2,1-4H3
InChIKeyQINAAPOOPCBLPN-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide

N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide (PubChem CID 177154659) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide
PubChem CID177154659
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC NameN-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCCC1CCC1(NS(=O)C(C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C15H23BrN2OS/c1-5-11-8-9-15(11,18-20(19)14(2,3)4)13-7-6-12(16)10-17-13/h6-7,10-11,18H,5,8-9H2,1-4H3
InChIKeyQINAAPOOPCBLPN-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 176651060
N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide
CID 131964205
N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 118391797
2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide
CID 134177525
5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine
CID 115642455
1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride
CID 71742170
(R)-N-[(4S)-6-bromo-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide
CID 166118932
[1-(5-bromo-2-pyridinyl)cyclopropyl]methanamine;dihydrochloride
CID 169448349
(2R,5S)-2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-tert-butyl-5-methylpiperidine-1-carboxylic acid
CID 66911362
1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 104813045
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol
CID 133344187
N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 47130960

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide (CID 177154659) is N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide is CCC1CCC1(NS(=O)C(C)(C)C)c1ccc(Br)cn1.
What is the InChIKey of N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is QINAAPOOPCBLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-5-11-8-9-15(11,18-20(19)14(2,3)4)13-7-6-12(16)10-17-13/h6-7,10-11,18H,5,8-9H2,1-4H3.
What are the key properties of N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide?
N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 359.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 177154659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).