(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride

C10H15ClN2OS2 — CID 119400398

IUPAC(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCSc1ccsc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H14N2OS2.ClH/c1-14-8-2-7-15-9(8)10(13)12-5-3-11-4-6-12;/h2,7,11H,3-6H2,1H3;1H
InChIKeyYEDQAAWXMDPYLB-UHFFFAOYSA-N
MW278.83 g/mol
LogP1.94
Rot. Bonds2

About (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride

(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119400398) has the molecular formula C10H15ClN2OS2 and a molecular weight of 278.83 g/mol. Its IUPAC name is (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119400398
Molecular FormulaC10H15ClN2OS2
Molecular Weight278.83 g/mol
Exact Mass278.03
IUPAC Name(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCSc1ccsc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H14N2OS2.ClH/c1-14-8-2-7-15-9(8)10(13)12-5-3-11-4-6-12;/h2,7,11H,3-6H2,1H3;1H
InChIKeyYEDQAAWXMDPYLB-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 166250594
[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 119488013
1,4-diazepan-1-yl-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119414236
[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone
CID 119593061
1,4-diazepan-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414812
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
[3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 71932339
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 120745110
N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 95615382
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
1,4-diazepan-1-yl-(2,4-dichloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119415878
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride (CID 119400398) is (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride is CSc1ccsc1C(=O)N1CCNCC1.Cl.
What is the InChIKey of (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is YEDQAAWXMDPYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2.ClH/c1-14-8-2-7-15-9(8)10(13)12-5-3-11-4-6-12;/h2,7,11H,3-6H2,1H3;1H.
What are the key properties of (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride?
(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 278.83 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119400398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).