3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride

C14H23ClN2O3S2 — CID 70655430

IUPAC3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccs1)N1CCNC(CC2CCOCC2)C1
InChIInChI=1S/C14H22N2O3S2.ClH/c17-21(18,14-2-1-9-20-14)16-6-5-15-13(11-16)10-12-3-7-19-8-4-12;/h1-2,9,12-13,15H,3-8,10-11H2;1H
InChIKeyXMCZSXYIIFPVTH-UHFFFAOYSA-N
MW366.94 g/mol
LogP1.95
Rot. Bonds4

About 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride

3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride (PubChem CID 70655430) has the molecular formula C14H23ClN2O3S2 and a molecular weight of 366.94 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
PubChem CID70655430
Molecular FormulaC14H23ClN2O3S2
Molecular Weight366.94 g/mol
Exact Mass366.08
IUPAC Name3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccs1)N1CCNC(CC2CCOCC2)C1
InChIInChI=1S/C14H22N2O3S2.ClH/c17-21(18,14-2-1-9-20-14)16-6-5-15-13(11-16)10-12-3-7-19-8-4-12;/h1-2,9,12-13,15H,3-8,10-11H2;1H
InChIKeyXMCZSXYIIFPVTH-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine
CID 70655680
3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine
CID 66583202
(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 97169349
1,1,1,3,3,3-hexafluoro-2-[4-[(2R)-2-(oxan-4-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 86670315
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1,1,3-trifluoro-2-[4-[(2R)-2-(oxan-4-ylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 66582345
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The IUPAC name of 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride (CID 70655430) is 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1cccs1)N1CCNC(CC2CCOCC2)C1.
What is the InChIKey of 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The InChIKey is XMCZSXYIIFPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2.ClH/c17-21(18,14-2-1-9-20-14)16-6-5-15-13(11-16)10-12-3-7-19-8-4-12;/h1-2,9,12-13,15H,3-8,10-11H2;1H.
What are the key properties of 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride?
3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride has a molecular weight of 366.94 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 70655430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).