(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine

C16H22N2S — CID 129369862

IUPAC(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
SMILESC[C@H](N)[C@H]1CCCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C16H22N2S/c1-12(17)13-5-4-8-18(9-13)10-14-11-19-16-7-3-2-6-15(14)16/h2-3,6-7,11-13H,4-5,8-10,17H2,1H3/t12-,13-/m0/s1
InChIKeyGMUJXPCPLFGMDM-STQMWFEESA-N
MW274.43 g/mol
LogP3.46
Rot. Bonds3

About (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine

(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine (PubChem CID 129369862) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
PubChem CID129369862
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
SMILESC[C@H](N)[C@H]1CCCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C16H22N2S/c1-12(17)13-5-4-8-18(9-13)10-14-11-19-16-7-3-2-6-15(14)16/h2-3,6-7,11-13H,4-5,8-10,17H2,1H3/t12-,13-/m0/s1
InChIKeyGMUJXPCPLFGMDM-STQMWFEESA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925714
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
2-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]acetic acid
CID 63738099
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-(1-benzothiophen-3-ylmethyl)-3-propyl-1,4-diazepane
CID 64871472
1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
CID 115741490
1-(1-benzothiophen-3-ylmethyl)-3-(2-chloroethyl)pyrrolidine
CID 114800517
1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
CID 114500240
4-N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172904984
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine?
The IUPAC name of (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine (CID 129369862) is (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine is C[C@H](N)[C@H]1CCCN(Cc2csc3ccccc23)C1.
What is the InChIKey of (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine?
The InChIKey is GMUJXPCPLFGMDM-STQMWFEESA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(17)13-5-4-8-18(9-13)10-14-11-19-16-7-3-2-6-15(14)16/h2-3,6-7,11-13H,4-5,8-10,17H2,1H3/t12-,13-/m0/s1.
What are the key properties of (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine?
(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 129369862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).