1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

C15H24N2O2S2 — CID 110708849

IUPAC1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)s1
InChIInChI=1S/C15H24N2O2S2/c1-3-14-6-7-15(20-14)21(18,19)17-10-8-16(9-11-17)12(2)13-4-5-13/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyZKJRPBAMFDCPAE-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.42
Rot. Bonds5

About 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (PubChem CID 110708849) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
PubChem CID110708849
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)s1
InChIInChI=1S/C15H24N2O2S2/c1-3-14-6-7-15(20-14)21(18,19)17-10-8-16(9-11-17)12(2)13-4-5-13/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyZKJRPBAMFDCPAE-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198
4-(5-ethylthiophen-2-yl)sulfonyl-1-propan-2-ylpiperazin-2-one
CID 110709082
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870
1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110400097

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (CID 110708849) is 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(C(C)C3CC3)CC2)s1.
What is the InChIKey of 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is ZKJRPBAMFDCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-14-6-7-15(20-14)21(18,19)17-10-8-16(9-11-17)12(2)13-4-5-13/h6-7,12-13H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 328.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 110708849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).