N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine

C13H16N2O2S2 — CID 55062602

IUPACN-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCCc1ccc(CNc2ccc(S(C)(=O)=O)nc2)s1
InChIInChI=1S/C13H16N2O2S2/c1-3-11-5-6-12(18-11)9-14-10-4-7-13(15-8-10)19(2,16)17/h4-8,14H,3,9H2,1-2H3
InChIKeyIUSNVONLUIOUBG-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.72
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine

N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 55062602) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
PubChem CID55062602
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCCc1ccc(CNc2ccc(S(C)(=O)=O)nc2)s1
InChIInChI=1S/C13H16N2O2S2/c1-3-11-5-6-12(18-11)9-14-10-4-7-13(15-8-10)19(2,16)17/h4-8,14H,3,9H2,1-2H3
InChIKeyIUSNVONLUIOUBG-UHFFFAOYSA-N
XLogP2.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
CID 133374020
2-[5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82886723
5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 104624407
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63120598
N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103934195
5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 106015690
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
CID 43675220
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 62347146

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine (CID 55062602) is N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine is CCc1ccc(CNc2ccc(S(C)(=O)=O)nc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is IUSNVONLUIOUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-3-11-5-6-12(18-11)9-14-10-4-7-13(15-8-10)19(2,16)17/h4-8,14H,3,9H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine?
N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 296.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 55062602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).