4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide

C15H20N2O2S2 — CID 43760203

IUPAC4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide
SMILESCC(C)C(NCc1ccc(S(N)(=O)=O)cc1)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-11(2)15(14-4-3-9-20-14)17-10-12-5-7-13(8-6-12)21(16,18)19/h3-9,11,15,17H,10H2,1-2H3,(H2,16,18,19)
InChIKeyBYRWPMLDYUOSFE-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.88
Rot. Bonds6

About 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide

4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide (PubChem CID 43760203) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide
PubChem CID43760203
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide
SMILESCC(C)C(NCc1ccc(S(N)(=O)=O)cc1)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-11(2)15(14-4-3-9-20-14)17-10-12-5-7-13(8-6-12)21(16,18)19/h3-9,11,15,17H,10H2,1-2H3,(H2,16,18,19)
InChIKeyBYRWPMLDYUOSFE-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide
CID 102867736
2-[4-[[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]methyl]phenoxy]acetonitrile
CID 93027675
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide
CID 43760215
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
4-[[1-(furan-2-yl)propylamino]methyl]benzenesulfonamide
CID 62632675
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
4-[[1-(3-bromophenyl)ethylamino]methyl]benzenesulfonamide
CID 43096431

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide (CID 43760203) is 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide is CC(C)C(NCc1ccc(S(N)(=O)=O)cc1)c1cccs1.
What is the InChIKey of 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide?
The InChIKey is BYRWPMLDYUOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11(2)15(14-4-3-9-20-14)17-10-12-5-7-13(8-6-12)21(16,18)19/h3-9,11,15,17H,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide?
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 43760203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).