(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine

C10H16N2O3S2 — CID 124619167

IUPAC(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine
SMILESCOc1ccsc1S(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C10H16N2O3S2/c1-8-7-12(5-4-11-8)17(13,14)10-9(15-2)3-6-16-10/h3,6,8,11H,4-5,7H2,1-2H3/t8-/m1/s1
InChIKeyRVBIHKXOIPVVQC-MRVPVSSYSA-N
MW276.38 g/mol
LogP0.74
Rot. Bonds3

About (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine

(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine (PubChem CID 124619167) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine
PubChem CID124619167
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine
SMILESCOc1ccsc1S(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C10H16N2O3S2/c1-8-7-12(5-4-11-8)17(13,14)10-9(15-2)3-6-16-10/h3,6,8,11H,4-5,7H2,1-2H3/t8-/m1/s1
InChIKeyRVBIHKXOIPVVQC-MRVPVSSYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine?
The IUPAC name of (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine (CID 124619167) is (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine?
The canonical SMILES for (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine is COc1ccsc1S(=O)(=O)N1CCN[C@H](C)C1.
What is the InChIKey of (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine?
The InChIKey is RVBIHKXOIPVVQC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-8-7-12(5-4-11-8)17(13,14)10-9(15-2)3-6-16-10/h3,6,8,11H,4-5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine?
(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine has a molecular weight of 276.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 124619167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).