3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine

C10H15BrN2OS — CID 104814114

IUPAC3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)Cc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-8(3-12)6-15(14)7-9-2-10(11)5-13-4-9/h2,4-5,8H,3,6-7,12H2,1H3
InChIKeyTVSAODGPAMDWPR-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.69
Rot. Bonds5

About 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine

3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine (PubChem CID 104814114) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine
PubChem CID104814114
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)Cc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-8(3-12)6-15(14)7-9-2-10(11)5-13-4-9/h2,4-5,8H,3,6-7,12H2,1H3
InChIKeyTVSAODGPAMDWPR-UHFFFAOYSA-N
XLogP1.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropanoate
CID 104808198
2-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropanoic acid
CID 104808205
N'-[(5-bromo-3-pyridinyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104798126
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
CID 115596591
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
1-(5-bromo-3-pyridinyl)-3-methylsulfonylbutan-2-ol
CID 115833451
3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
CID 104809934
2-[(5-bromo-3-pyridinyl)methylsulfonyl]ethanamine
CID 104814000
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
2-[(5-bromo-3-pyridinyl)methylsulfonyl]propanoic acid
CID 104797411

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine (CID 104814114) is 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine is CC(CN)CS(=O)Cc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine?
The InChIKey is TVSAODGPAMDWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-8(3-12)6-15(14)7-9-2-10(11)5-13-4-9/h2,4-5,8H,3,6-7,12H2,1H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine?
3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine has a molecular weight of 291.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104814114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).