(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine

C16H20N2O3S2 — CID 70655680

IUPAC(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN[C@@H](COCc2ccccc2)C1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-10-22-16)18-9-8-17-15(11-18)13-21-12-14-5-2-1-3-6-14/h1-7,10,15,17H,8-9,11-13H2/t15-/m1/s1
InChIKeyLHBQIEUARSLHLY-OAHLLOKOSA-N
MW352.48 g/mol
LogP1.93
Rot. Bonds6

About (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine

(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine (PubChem CID 70655680) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine
PubChem CID70655680
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN[C@@H](COCc2ccccc2)C1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-10-22-16)18-9-8-17-15(11-18)13-21-12-14-5-2-1-3-6-14/h1-7,10,15,17H,8-9,11-13H2/t15-/m1/s1
InChIKeyLHBQIEUARSLHLY-OAHLLOKOSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine
CID 66583202
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 70655430
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
CID 110410428
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
(2S)-2-(phenylmethoxymethyl)-1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidine
CID 150243178
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
(4-cyanophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425432
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine (CID 70655680) is (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN[C@@H](COCc2ccccc2)C1.
What is the InChIKey of (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine?
The InChIKey is LHBQIEUARSLHLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-10-22-16)18-9-8-17-15(11-18)13-21-12-14-5-2-1-3-6-14/h1-7,10,15,17H,8-9,11-13H2/t15-/m1/s1.
What are the key properties of (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine?
(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine has a molecular weight of 352.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 70655680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).