4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine

C13H13BrN2OS — CID 99786108

IUPAC4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
SMILESC[S@@](=O)c1ccc(CNc2cc(Br)ccn2)cc1
InChIInChI=1S/C13H13BrN2OS/c1-18(17)12-4-2-10(3-5-12)9-16-13-8-11(14)6-7-15-13/h2-8H,9H2,1H3,(H,15,16)/t18-/m1/s1
InChIKeyRPFOUNILRHJWOM-GOSISDBHSA-N
MW325.23 g/mol
LogP3.19
Rot. Bonds4

About 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine

4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine (PubChem CID 99786108) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
PubChem CID99786108
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
SMILESC[S@@](=O)c1ccc(CNc2cc(Br)ccn2)cc1
InChIInChI=1S/C13H13BrN2OS/c1-18(17)12-4-2-10(3-5-12)9-16-13-8-11(14)6-7-15-13/h2-8H,9H2,1H3,(H,15,16)/t18-/m1/s1
InChIKeyRPFOUNILRHJWOM-GOSISDBHSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
4-[2-[[5-(Trifluoromethyl)pyridin-2-yl]amino]ethyl]benzenesulfonamide
CID 2537673
3-Bromo-N-{[4-methanesulfonyl-2-(trifluoromethyl)phenyl]methyl}pyridin-2-amine
CID 135335667
6-(benzylamino)-N,N-diethyl-3-pyridinesulfonamide
CID 829837
N-(2-{[(5-bromo-2-pyridinyl)amino]methyl}phenyl)-4-methylbenzenesulfonamide
CID 1314313
3-[(4-bromophenyl)sulfonyl]-N-(5-methylpyridin-2-yl)propanamide
CID 4085378
N-(5-Bromo-pyridin-2-yl)-4-ethyl-benzenesulfonamide
CID 766689
N-[(4-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 975672
N-Pyridin-2-yl-2-(toluene-4-sulfonyl)-acetamide
CID 3163424
N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide
CID 878873
5-(Benzylsulfanyl)pyridin-2-amine
CID 28412332
4-bromo-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669661

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine?
The IUPAC name of 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine (CID 99786108) is 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine is C[S@@](=O)c1ccc(CNc2cc(Br)ccn2)cc1.
What is the InChIKey of 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine?
The InChIKey is RPFOUNILRHJWOM-GOSISDBHSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-18(17)12-4-2-10(3-5-12)9-16-13-8-11(14)6-7-15-13/h2-8H,9H2,1H3,(H,15,16)/t18-/m1/s1.
What are the key properties of 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine?
4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine has a molecular weight of 325.23 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 99786108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).