N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide

Name: N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₀BrN₃OS — CID 118663691

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide

SMILESCCC[C@H](NS(=O)C(C)(C)C)c1cncc(Br)n1

InChIInChI=1S/C12H20BrN3OS/c1-5-6-9(16-18(17)12(2,3)4)10-7-14-8-11(13)15-10/h7-9,16H,5-6H2,1-4H3/t9-,18?/m0/s1

InChIKeyJKRAMOASCFYDJO-JUGYALQGSA-N

MW334.28 g/mol

LogP3.13

Rot. Bonds5

About N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide (PubChem CID 118663691) has the molecular formula C₁₂H₂₀BrN₃OS and a molecular weight of 334.28 g/mol. Its IUPAC name is N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name	N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide
PubChem CID	118663691
Molecular Formula	C₁₂H₂₀BrN₃OS
Molecular Weight	334.28 g/mol
Exact Mass	333.05
IUPAC Name	N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide
SMILES	CCC[C@H](NS(=O)C(C)(C)C)c1cncc(Br)n1
InChI	InChI=1S/C12H20BrN3OS/c1-5-6-9(16-18(17)12(2,3)4)10-7-14-8-11(13)15-10/h7-9,16H,5-6H2,1-4H3/t9-,18?/m0/s1
InChIKey	JKRAMOASCFYDJO-JUGYALQGSA-N
XLogP	3.13
TPSA	54.88 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.28
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide (CID 118663691) is N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide is CCC[C@H](NS(=O)C(C)(C)C)c1cncc(Br)n1.

What is the InChIKey of N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide?

The InChIKey is JKRAMOASCFYDJO-JUGYALQGSA-N. The full InChI is InChI=1S/C12H20BrN3OS/c1-5-6-9(16-18(17)12(2,3)4)10-7-14-8-11(13)15-10/h7-9,16H,5-6H2,1-4H3/t9-,18?/m0/s1.

What are the key properties of N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide?

N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide has a molecular weight of 334.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(6-bromopyrazin-2-yl)butyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118663691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118663691 — identifiers, structure, computed properties (public domain)

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