N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide

C16H21N3O2S2 — CID 2738606

IUPACN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide
SMILESCN1CCN(c2ccc(CNS(=O)(=O)c3ccsc3)cc2)CC1
InChIInChI=1S/C16H21N3O2S2/c1-18-7-9-19(10-8-18)15-4-2-14(3-5-15)12-17-23(20,21)16-6-11-22-13-16/h2-6,11,13,17H,7-10,12H2,1H3
InChIKeyNCYNZHPTHGTGMS-UHFFFAOYSA-N
MW351.50 g/mol
LogP1.98
Rot. Bonds5

About N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide (PubChem CID 2738606) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide
PubChem CID2738606
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide
SMILESCN1CCN(c2ccc(CNS(=O)(=O)c3ccsc3)cc2)CC1
InChIInChI=1S/C16H21N3O2S2/c1-18-7-9-19(10-8-18)15-4-2-14(3-5-15)12-17-23(20,21)16-6-11-22-13-16/h2-6,11,13,17H,7-10,12H2,1H3
InChIKeyNCYNZHPTHGTGMS-UHFFFAOYSA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

MK6-83
CID 18191179
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
1-Phenyl-4-(2-thienylsulfonyl)piperazine
CID 738300
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
2,5-dimethyl-N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738607
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034
N-Isobutyl-N-[5-(4-methanesulfonylamino-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 71622397
1-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-thiophen-3-ylthiazinan-2-yl]methyl]phenyl]piperazin-1-yl]ethanone
CID 122644619
1-[2-(4-Methylphenyl)sulfonylethyl]-4-phenylpiperazine
CID 674306
1-(2-Fluoro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893389

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide (CID 2738606) is N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide is CN1CCN(c2ccc(CNS(=O)(=O)c3ccsc3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide?
The InChIKey is NCYNZHPTHGTGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-18-7-9-19(10-8-18)15-4-2-14(3-5-15)12-17-23(20,21)16-6-11-22-13-16/h2-6,11,13,17H,7-10,12H2,1H3.
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide?
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide has a molecular weight of 351.50 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 2738606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).