N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide

C14H25N3O2S2 — CID 3240176

IUPACN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C14H25N3O2S2/c1-4-21(18,19)15-12(2)14(13-6-5-11-20-13)17-9-7-16(3)8-10-17/h5-6,11-12,14-15H,4,7-10H2,1-3H3
InChIKeyJFMSKBBKWBFBTG-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.36
Rot. Bonds6

About N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide

N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide (PubChem CID 3240176) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
PubChem CID3240176
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C14H25N3O2S2/c1-4-21(18,19)15-12(2)14(13-6-5-11-20-13)17-9-7-16(3)8-10-17/h5-6,11-12,14-15H,4,7-10H2,1-3H3
InChIKeyJFMSKBBKWBFBTG-UHFFFAOYSA-N
XLogP1.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
4-bromo-N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 5310120
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 5310439
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
US10807974, Example 34
CID 130345119
2-Thiophen-2-yl-piperazine
CID 2771726
4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3239377
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3240790

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide (CID 3240176) is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide is CCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide?
The InChIKey is JFMSKBBKWBFBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-21(18,19)15-12(2)14(13-6-5-11-20-13)17-9-7-16(3)8-10-17/h5-6,11-12,14-15H,4,7-10H2,1-3H3.
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide?
N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide is sourced from PubChem (CID 3240176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).