[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone

C11H16N2OS — CID 94475795

IUPAC[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCN[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H16N2OS/c1-12-9-4-2-6-13(8-9)11(14)10-5-3-7-15-10/h3,5,7,9,12H,2,4,6,8H2,1H3/t9-/m0/s1
InChIKeyITGNFSWEJDUSSX-VIFPVBQESA-N
MW224.33 g/mol
LogP1.57
Rot. Bonds2

About [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone

[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 94475795) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID94475795
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCN[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H16N2OS/c1-12-9-4-2-6-13(8-9)11(14)10-5-3-7-15-10/h3,5,7,9,12H,2,4,6,8H2,1H3/t9-/m0/s1
InChIKeyITGNFSWEJDUSSX-VIFPVBQESA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
CID 95401258
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
1-[3-(methylamino)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119487436
2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119492236
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 97122179
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone (CID 94475795) is [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone is CN[C@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ITGNFSWEJDUSSX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-9-4-2-6-13(8-9)11(14)10-5-3-7-15-10/h3,5,7,9,12H,2,4,6,8H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone?
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 224.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 94475795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).