N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide

C12H20BrN3OS — CID 118391797

IUPACN-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCN)c1ccc(Br)cn1
InChIInChI=1S/C12H20BrN3OS/c1-12(2,3)18(17)16-11(6-7-14)10-5-4-9(13)8-15-10/h4-5,8,11,16H,6-7,14H2,1-3H3
InChIKeyROGYEGLZAWFJTN-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.29
Rot. Bonds5

About N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide

N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 118391797) has the molecular formula C12H20BrN3OS and a molecular weight of 334.28 g/mol. Its IUPAC name is N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID118391797
Molecular FormulaC12H20BrN3OS
Molecular Weight334.28 g/mol
Exact Mass333.05
IUPAC NameN-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCN)c1ccc(Br)cn1
InChIInChI=1S/C12H20BrN3OS/c1-12(2,3)18(17)16-11(6-7-14)10-5-4-9(13)8-15-10/h4-5,8,11,16H,6-7,14H2,1-3H3
InChIKeyROGYEGLZAWFJTN-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 121400956
(S)-N-[1-(6-bromo-3-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 90939981
N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 118279654
N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide
CID 68946827
N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 139519265
N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 118663891
N-[1-(5-bromo-2-fluorophenyl)-3-hydroxypropyl]-2-methylpropane-2-sulfinamide;fluoromethane
CID 144693188
N-[1-(5-bromo-2-methoxy-3-pyridinyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 90199531
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
[1-(5-bromo-2-pyridinyl)-3-ethylpentyl]hydrazine
CID 105267903
[1-(5-bromo-2-pyridinyl)-2-ethoxyethyl]hydrazine
CID 105267714

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide (CID 118391797) is N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CCN)c1ccc(Br)cn1.
What is the InChIKey of N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ROGYEGLZAWFJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3OS/c1-12(2,3)18(17)16-11(6-7-14)10-5-4-9(13)8-15-10/h4-5,8,11,16H,6-7,14H2,1-3H3.
What are the key properties of N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 334.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118391797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).