(2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine

C12H20N2O2S2 — CID 100641176

IUPAC(2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)sc1C
InChIInChI=1S/C12H20N2O2S2/c1-8-6-12(17-10(8)3)18(15,16)14-5-4-11(13)7-9(14)2/h6,9,11H,4-5,7,13H2,1-3H3/t9-,11+/m1/s1
InChIKeyHYMJSLNZFLFWPB-KOLCDFICSA-N
MW288.44 g/mol
LogP1.87
Rot. Bonds2

About (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine

(2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine (PubChem CID 100641176) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine
PubChem CID100641176
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name(2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)sc1C
InChIInChI=1S/C12H20N2O2S2/c1-8-6-12(17-10(8)3)18(15,16)14-5-4-11(13)7-9(14)2/h6,9,11H,4-5,7,13H2,1-3H3/t9-,11+/m1/s1
InChIKeyHYMJSLNZFLFWPB-KOLCDFICSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
CID 115312556
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618
(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 125420055
(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 125420054
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
1-(5-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312528
1-(4-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312471
2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115312594
4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 103829091
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312553
(2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine
CID 124692062
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine?
The IUPAC name of (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine (CID 100641176) is (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine.
What is the SMILES notation for (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine?
The canonical SMILES for (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine is Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)sc1C.
What is the InChIKey of (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine?
The InChIKey is HYMJSLNZFLFWPB-KOLCDFICSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-8-6-12(17-10(8)3)18(15,16)14-5-4-11(13)7-9(14)2/h6,9,11H,4-5,7,13H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine?
(2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 100641176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).