N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide

C18H23N3O2S2 — CID 94849742

IUPACN,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(/N=C/c2cccs2)ccc1N1CCCCC1
InChIInChI=1S/C18H23N3O2S2/c1-20(2)25(22,23)18-13-15(19-14-16-7-6-12-24-16)8-9-17(18)21-10-4-3-5-11-21/h6-9,12-14H,3-5,10-11H2,1-2H3/b19-14+
InChIKeyVHHKIHNAGUOQSV-XMHGGMMESA-N
MW377.54 g/mol
LogP3.74
Rot. Bonds5

About N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide

N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide (PubChem CID 94849742) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide
PubChem CID94849742
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC NameN,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(/N=C/c2cccs2)ccc1N1CCCCC1
InChIInChI=1S/C18H23N3O2S2/c1-20(2)25(22,23)18-13-15(19-14-16-7-6-12-24-16)8-9-17(18)21-10-4-3-5-11-21/h6-9,12-14H,3-5,10-11H2,1-2H3/b19-14+
InChIKeyVHHKIHNAGUOQSV-XMHGGMMESA-N
XLogP3.74
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-5-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]-2-piperidin-1-ylbenzenesulfonamide
CID 94849818
5-[[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylideneamino]-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 124530191
N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine
CID 961227
5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 28795698
5-[[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methylideneamino]-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 124530190
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine
CID 3579489
5-(1,3-benzodioxol-5-ylmethylideneamino)-N,N-bis(2-methylpropyl)-2-piperidin-1-ylbenzenesulfonamide
CID 94849754
2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
N,N-dimethyl-4-nitro-2-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)iminomethyl]aniline
CID 94849805
4-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 710286
N-(3-methylphenyl)-1-thiophen-2-ylmethanimine
CID 13481551
1-(4-nitrophenyl)-N-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanimine
CID 94849726

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide (CID 94849742) is N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide is CN(C)S(=O)(=O)c1cc(/N=C/c2cccs2)ccc1N1CCCCC1.
What is the InChIKey of N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide?
The InChIKey is VHHKIHNAGUOQSV-XMHGGMMESA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-20(2)25(22,23)18-13-15(19-14-16-7-6-12-24-16)8-9-17(18)21-10-4-3-5-11-21/h6-9,12-14H,3-5,10-11H2,1-2H3/b19-14+.
What are the key properties of N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide?
N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide has a molecular weight of 377.54 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 94849742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).