[(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone

C14H22N2OS — CID 124593658

IUPAC[(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC[C@H](N)C2)sc1C
InChIInChI=1S/C14H22N2OS/c1-3-5-11-8-13(18-10(11)2)14(17)16-7-4-6-12(15)9-16/h8,12H,3-7,9,15H2,1-2H3/t12-/m0/s1
InChIKeyLTNKDEGMENSFHP-LBPRGKRZSA-N
MW266.41 g/mol
LogP2.57
Rot. Bonds3

About [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone

[(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone (PubChem CID 124593658) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone
PubChem CID124593658
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC[C@H](N)C2)sc1C
InChIInChI=1S/C14H22N2OS/c1-3-5-11-8-13(18-10(11)2)14(17)16-7-4-6-12(15)9-16/h8,12H,3-7,9,15H2,1-2H3/t12-/m0/s1
InChIKeyLTNKDEGMENSFHP-LBPRGKRZSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone (CID 124593658) is [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone is CCCc1cc(C(=O)N2CCC[C@H](N)C2)sc1C.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone?
The InChIKey is LTNKDEGMENSFHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-5-11-8-13(18-10(11)2)14(17)16-7-4-6-12(15)9-16/h8,12H,3-7,9,15H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone?
[(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone has a molecular weight of 266.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone is sourced from PubChem (CID 124593658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).