(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine

C14H19N3O2S3 — CID 125420054

IUPAC(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](N)C[C@H]3C)s2)cs1
InChIInChI=1S/C14H19N3O2S3/c1-9-7-11(15)5-6-17(9)22(18,19)14-4-3-13(21-14)12-8-20-10(2)16-12/h3-4,8-9,11H,5-7,15H2,1-2H3/t9-,11-/m1/s1
InChIKeyCQJIIVZKDCTOPB-MWLCHTKSSA-N
MW357.53 g/mol
LogP2.68
Rot. Bonds3

About (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine

(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine (PubChem CID 125420054) has the molecular formula C14H19N3O2S3 and a molecular weight of 357.53 g/mol. Its IUPAC name is (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
PubChem CID125420054
Molecular FormulaC14H19N3O2S3
Molecular Weight357.53 g/mol
Exact Mass357.06
IUPAC Name(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](N)C[C@H]3C)s2)cs1
InChIInChI=1S/C14H19N3O2S3/c1-9-7-11(15)5-6-17(9)22(18,19)14-4-3-13(21-14)12-8-20-10(2)16-12/h3-4,8-9,11H,5-7,15H2,1-2H3/t9-,11-/m1/s1
InChIKeyCQJIIVZKDCTOPB-MWLCHTKSSA-N
XLogP2.68
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid
CID 122105266
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 119980061
(2R,4S)-1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-methylpiperidin-4-amine
CID 100641176
ethyl 1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2795657
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618
N-[[1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990493
7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 122072267
2-methyl-4-[5-[2-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylthiophen-2-yl]-1,3-thiazole
CID 166193962
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714634
(2R,6aR)-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
CID 70917177
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
(3S,4R)-4-hydroxy-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-3-propylpiperidine-3-carboxylic acid
CID 135111095

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine?
The IUPAC name of (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine (CID 125420054) is (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine.
What is the SMILES notation for (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine?
The canonical SMILES for (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine is Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](N)C[C@H]3C)s2)cs1.
What is the InChIKey of (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine?
The InChIKey is CQJIIVZKDCTOPB-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H19N3O2S3/c1-9-7-11(15)5-6-17(9)22(18,19)14-4-3-13(21-14)12-8-20-10(2)16-12/h3-4,8-9,11H,5-7,15H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine?
(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine has a molecular weight of 357.53 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 125420054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).