N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine

C11H17BrN2O2S — CID 114600066

IUPACN-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine
SMILESCCN(CCCBr)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H17BrN2O2S/c1-3-14(9-5-7-12)11-10(17(2,15)16)6-4-8-13-11/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyDOXWGBXBYLZNDA-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.10
Rot. Bonds6

About N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine

N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine (PubChem CID 114600066) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine
PubChem CID114600066
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine
SMILESCCN(CCCBr)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H17BrN2O2S/c1-3-14(9-5-7-12)11-10(17(2,15)16)6-4-8-13-11/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyDOXWGBXBYLZNDA-UHFFFAOYSA-N
XLogP2.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine
CID 114598399
N,N-diethyl-3-ethylsulfonylpyridin-2-amine
CID 117062133
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494189
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
CID 114599518
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
3-bromo-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447485
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
N-(5-bromopentyl)-N-methyl-2-methylsulfonylaniline
CID 107205127
N-cyclopropyl-3-methylsulfonyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641204
N-(2-bromoethyl)-3-methyl-N-propylpyridin-2-amine
CID 80674717
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine (CID 114600066) is N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine is CCN(CCCBr)c1ncccc1S(C)(=O)=O.
What is the InChIKey of N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine?
The InChIKey is DOXWGBXBYLZNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-3-14(9-5-7-12)11-10(17(2,15)16)6-4-8-13-11/h4,6,8H,3,5,7,9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine?
N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine has a molecular weight of 321.24 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114600066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).