N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine

C16H18N2O2S2 — CID 23819949

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccsc2)cc1)N1CCCCC1
InChIInChI=1S/C16H18N2O2S2/c19-22(20,18-9-2-1-3-10-18)16-6-4-15(5-7-16)17-12-14-8-11-21-13-14/h4-8,11-13H,1-3,9-10H2/b17-12+
InChIKeyQQSWLCQOTVNGRB-SFQUDFHCSA-N
MW334.47 g/mol
LogP3.67
Rot. Bonds4

About N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine

N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine (PubChem CID 23819949) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine
PubChem CID23819949
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccsc2)cc1)N1CCCCC1
InChIInChI=1S/C16H18N2O2S2/c19-22(20,18-9-2-1-3-10-18)16-6-4-15(5-7-16)17-12-14-8-11-21-13-14/h4-8,11-13H,1-3,9-10H2/b17-12+
InChIKeyQQSWLCQOTVNGRB-SFQUDFHCSA-N
XLogP3.67
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190
1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 30269722
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 4511482
1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 23941120
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
CID 4105745

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine (CID 23819949) is N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine is O=S(=O)(c1ccc(/N=C/c2ccsc2)cc1)N1CCCCC1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine?
The InChIKey is QQSWLCQOTVNGRB-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c19-22(20,18-9-2-1-3-10-18)16-6-4-15(5-7-16)17-12-14-8-11-21-13-14/h4-8,11-13H,1-3,9-10H2/b17-12+.
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine?
N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine has a molecular weight of 334.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 23819949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).