N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide

C10H15BrN2O2S — CID 129392312

IUPACN-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)[C@@H](C)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-4-16(14,15)13(3)8(2)9-5-10(11)7-12-6-9/h5-8H,4H2,1-3H3/t8-/m0/s1
InChIKeyQDUZFCOOJUIQIR-QMMMGPOBSA-N
MW307.21 g/mol
LogP2.19
Rot. Bonds4

About N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide

N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide (PubChem CID 129392312) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide
PubChem CID129392312
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC NameN-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)[C@@H](C)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-4-16(14,15)13(3)8(2)9-5-10(11)7-12-6-9/h5-8H,4H2,1-3H3/t8-/m0/s1
InChIKeyQDUZFCOOJUIQIR-QMMMGPOBSA-N
XLogP2.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
CID 130060487
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
5-bromo-N-propan-2-yl-N-propylpyridin-3-amine
CID 104531552
5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine
CID 115657067
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide
CID 158337829
1-(5-bromo-3-pyridinyl)butylhydrazine
CID 105251041

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide?
The IUPAC name of N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide (CID 129392312) is N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)[C@@H](C)c1cncc(Br)c1.
What is the InChIKey of N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide?
The InChIKey is QDUZFCOOJUIQIR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-4-16(14,15)13(3)8(2)9-5-10(11)7-12-6-9/h5-8H,4H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide?
N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide has a molecular weight of 307.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide is sourced from PubChem (CID 129392312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).