[4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone

C15H18BrN3OS — CID 166310255

IUPAC[4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone
SMILESC[C@H](N)C1CCN(C(=O)c2cc3c(Br)cncc3s2)CC1
InChIInChI=1S/C15H18BrN3OS/c1-9(17)10-2-4-19(5-3-10)15(20)13-6-11-12(16)7-18-8-14(11)21-13/h6-10H,2-5,17H2,1H3/t9-/m0/s1
InChIKeyYEYDITBZNVGYFX-VIFPVBQESA-N
MW368.30 g/mol
LogP3.26
Rot. Bonds2

About [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone

[4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone (PubChem CID 166310255) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone
PubChem CID166310255
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC Name[4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone
SMILESC[C@H](N)C1CCN(C(=O)c2cc3c(Br)cncc3s2)CC1
InChIInChI=1S/C15H18BrN3OS/c1-9(17)10-2-4-19(5-3-10)15(20)13-6-11-12(16)7-18-8-14(11)21-13/h6-10H,2-5,17H2,1H3/t9-/m0/s1
InChIKeyYEYDITBZNVGYFX-VIFPVBQESA-N
XLogP3.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone?
The IUPAC name of [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone (CID 166310255) is [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone?
The canonical SMILES for [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone is C[C@H](N)C1CCN(C(=O)c2cc3c(Br)cncc3s2)CC1.
What is the InChIKey of [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone?
The InChIKey is YEYDITBZNVGYFX-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-9(17)10-2-4-19(5-3-10)15(20)13-6-11-12(16)7-18-8-14(11)21-13/h6-10H,2-5,17H2,1H3/t9-/m0/s1.
What are the key properties of [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone?
[4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone has a molecular weight of 368.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-bromothieno[2,3-c]pyridin-2-yl)methanone is sourced from PubChem (CID 166310255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).