[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone

C17H18N2OS2 — CID 119562691

IUPAC[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
SMILESCNC1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1
InChIInChI=1S/C17H18N2OS2/c1-18-11-6-8-19(9-7-11)17(20)15-10-14-16(22-15)12-4-2-3-5-13(12)21-14/h2-5,10-11,18H,6-9H2,1H3
InChIKeyUVNQOJCDMFZTTD-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.94
Rot. Bonds2

About [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone

[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone (PubChem CID 119562691) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
PubChem CID119562691
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
SMILESCNC1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1
InChIInChI=1S/C17H18N2OS2/c1-18-11-6-8-19(9-7-11)17(20)15-10-14-16(22-15)12-4-2-3-5-13(12)21-14/h2-5,10-11,18H,6-9H2,1H3
InChIKeyUVNQOJCDMFZTTD-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 1082719
(4-benzylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 2352884
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 24503507
[4-(4-fluorophenyl)piperazin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 8967208
N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
2-(1H-indol-3-yl)-1-[4-(thieno[3,2-b][1]benzothiole-2-carbonyl)piperazin-1-yl]ethanone
CID 55809842
(2-methylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone;hydrochloride
CID 119472440
N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 33377513
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561069
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone (CID 119562691) is [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone is CNC1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone?
The InChIKey is UVNQOJCDMFZTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-18-11-6-8-19(9-7-11)17(20)15-10-14-16(22-15)12-4-2-3-5-13(12)21-14/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone?
[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone has a molecular weight of 330.48 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone is sourced from PubChem (CID 119562691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).