1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine

C10H15BrN2O2S — CID 104814087

IUPAC1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine
SMILESCCC(N)CS(=O)(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O2S/c1-2-9(12)6-16(14,15)7-10-4-3-8(11)5-13-10/h3-5,9H,2,6-7,12H2,1H3
InChIKeyCERZRUWCVVQKRO-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.50
Rot. Bonds5

About 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine

1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine (PubChem CID 104814087) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine
PubChem CID104814087
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine
SMILESCCC(N)CS(=O)(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O2S/c1-2-9(12)6-16(14,15)7-10-4-3-8(11)5-13-10/h3-5,9H,2,6-7,12H2,1H3
InChIKeyCERZRUWCVVQKRO-UHFFFAOYSA-N
XLogP1.50
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine 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

5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine
CID 167744452
methyl (5-bromo-2-pyridinyl)methanesulfonate
CID 87273679
1-[1-[(5-bromo-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 104811061
1-(5-bromo-2-pyridinyl)-4-methylhexan-2-one
CID 115801004
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
3-[(5-bromo-2-pyridinyl)methylsulfinyl]-2-methylpropan-1-amine
CID 104814115
5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine
CID 167944484
5-bromo-2-(3-chloropentyl)pyridine
CID 104810095
5-bromo-2-(3-bromopentyl)pyridine
CID 104810136
1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105036373
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine (CID 104814087) is 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine is CCC(N)CS(=O)(=O)Cc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine?
The InChIKey is CERZRUWCVVQKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-2-9(12)6-16(14,15)7-10-4-3-8(11)5-13-10/h3-5,9H,2,6-7,12H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine?
1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine has a molecular weight of 307.21 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methylsulfonyl]butan-2-amine is sourced from PubChem (CID 104814087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).