(3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine

C11H20N2S — CID 71091273

IUPAC(3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
SMILESC[C@@H]1CN(C2=CC[C@@H](C)S2)C[C@H](C)N1
InChIInChI=1S/C11H20N2S/c1-8-6-13(7-9(2)12-8)11-5-4-10(3)14-11/h5,8-10,12H,4,6-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyJCUREFKTCQRMII-KXUCPTDWSA-N
MW212.36 g/mol
LogP2.04
Rot. Bonds1

About (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine

(3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine (PubChem CID 71091273) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
PubChem CID71091273
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name(3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
SMILESC[C@@H]1CN(C2=CC[C@@H](C)S2)C[C@H](C)N1
InChIInChI=1S/C11H20N2S/c1-8-6-13(7-9(2)12-8)11-5-4-10(3)14-11/h5,8-10,12H,4,6-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyJCUREFKTCQRMII-KXUCPTDWSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine?
The IUPAC name of (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine (CID 71091273) is (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine?
The canonical SMILES for (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine is C[C@@H]1CN(C2=CC[C@@H](C)S2)C[C@H](C)N1.
What is the InChIKey of (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine?
The InChIKey is JCUREFKTCQRMII-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8-6-13(7-9(2)12-8)11-5-4-10(3)14-11/h5,8-10,12H,4,6-7H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine?
(3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine has a molecular weight of 212.36 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine is sourced from PubChem (CID 71091273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).