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

C14H20ClN3O2S3 — CID 120714634

IUPACN-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1.Cl
InChIInChI=1S/C14H19N3O2S3.ClH/c1-10-16-12(9-20-10)13-5-6-14(21-13)22(18,19)17-7-3-4-11(8-17)15-2;/h5-6,9,11,15H,3-4,7-8H2,1-2H3;1H
InChIKeyYHCWPZKZKPDKOS-UHFFFAOYSA-N
MW393.99 g/mol
LogP2.97
Rot. Bonds4

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

N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120714634) has the molecular formula C14H20ClN3O2S3 and a molecular weight of 393.99 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120714634
Molecular FormulaC14H20ClN3O2S3
Molecular Weight393.99 g/mol
Exact Mass393.04
IUPAC NameN-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1.Cl
InChIInChI=1S/C14H19N3O2S3.ClH/c1-10-16-12(9-20-10)13-5-6-14(21-13)22(18,19)17-7-3-4-11(8-17)15-2;/h5-6,9,11,15H,3-4,7-8H2,1-2H3;1H
InChIKeyYHCWPZKZKPDKOS-UHFFFAOYSA-N
XLogP2.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 119980061
N-[[1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990493
(2R,3R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid
CID 122105266
ethyl 1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2795657
(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 125420054
(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
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641452
(3S,4R)-4-hydroxy-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-3-propylpiperidine-3-carboxylic acid
CID 135111095
2-methyl-4-[5-[2-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylthiophen-2-yl]-1,3-thiazole
CID 166193962
(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine
CID 97164781
(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
CID 97164762
N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
CID 71642687

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride (CID 120714634) is N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1.Cl.
What is the InChIKey of N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is YHCWPZKZKPDKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S3.ClH/c1-10-16-12(9-20-10)13-5-6-14(21-13)22(18,19)17-7-3-4-11(8-17)15-2;/h5-6,9,11,15H,3-4,7-8H2,1-2H3;1H.
What are the key properties of N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride?
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 393.99 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).