5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine

C14H15ClN2OS — CID 96998475

IUPAC5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
SMILESCN(Cc1ccc([S@](C)=O)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H15ClN2OS/c1-17(14-8-5-12(15)9-16-14)10-11-3-6-13(7-4-11)19(2)18/h3-9H,10H2,1-2H3/t19-/m0/s1
InChIKeyMPHONIVRFYONOL-IBGZPJMESA-N
MW294.81 g/mol
LogP3.11
Rot. Bonds4

About 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine

5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine (PubChem CID 96998475) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
PubChem CID96998475
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
SMILESCN(Cc1ccc([S@](C)=O)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H15ClN2OS/c1-17(14-8-5-12(15)9-16-14)10-11-3-6-13(7-4-11)19(2)18/h3-9H,10H2,1-2H3/t19-/m0/s1
InChIKeyMPHONIVRFYONOL-IBGZPJMESA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 71977898
N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 66231617
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 55054791
1-[4-[[(5-chloro-2-pyridinyl)-[methyl(methylidene)-λ4-sulfanyl]amino]methyl]phenyl]propan-1-one
CID 145238342
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
[4-[[methyl-[(4-methylsulfinylphenyl)methyl]amino]methyl]phenyl]methanol
CID 110009214
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202
N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 133488301
3-tert-butyl-N-methyl-N-[(4-methylsulfinylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133494230
1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine
CID 126971830

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine (CID 96998475) is 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine is CN(Cc1ccc([S@](C)=O)cc1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine?
The InChIKey is MPHONIVRFYONOL-IBGZPJMESA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-17(14-8-5-12(15)9-16-14)10-11-3-6-13(7-4-11)19(2)18/h3-9H,10H2,1-2H3/t19-/m0/s1.
What are the key properties of 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine?
5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine has a molecular weight of 294.81 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 96998475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).