[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone

C13H20N2OS2 — CID 119593061

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone
SMILESCSc1ccsc1C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C13H20N2OS2/c1-9(14)10-4-3-6-15(8-10)13(16)12-11(17-2)5-7-18-12/h5,7,9-10H,3-4,6,8,14H2,1-2H3
InChIKeyIJOXQXNYCGPGGR-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.67
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone (PubChem CID 119593061) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone
PubChem CID119593061
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone
SMILESCSc1ccsc1C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C13H20N2OS2/c1-9(14)10-4-3-6-15(8-10)13(16)12-11(17-2)5-7-18-12/h5,7,9-10H,3-4,6,8,14H2,1-2H3
InChIKeyIJOXQXNYCGPGGR-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 119488013
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone;hydrochloride
CID 119593600
N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 95615382
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 119596426
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 95357618

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone (CID 119593061) is [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone is CSc1ccsc1C(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone?
The InChIKey is IJOXQXNYCGPGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-9(14)10-4-3-6-15(8-10)13(16)12-11(17-2)5-7-18-12/h5,7,9-10H,3-4,6,8,14H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone has a molecular weight of 284.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone is sourced from PubChem (CID 119593061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).