2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide

C9H16N2O2S2 — CID 114385022

IUPAC2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
SMILESCC(Cc1cccs1)NCCS(N)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-8(7-9-3-2-5-14-9)11-4-6-15(10,12)13/h2-3,5,8,11H,4,6-7H2,1H3,(H2,10,12,13)
InChIKeyJTFBGFWTPIRKLF-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.56
Rot. Bonds6

About 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide

2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide (PubChem CID 114385022) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
PubChem CID114385022
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
SMILESCC(Cc1cccs1)NCCS(N)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-8(7-9-3-2-5-14-9)11-4-6-15(10,12)13/h2-3,5,8,11H,4,6-7H2,1H3,(H2,10,12,13)
InChIKeyJTFBGFWTPIRKLF-UHFFFAOYSA-N
XLogP0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342
1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one
CID 63291811
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide?
The IUPAC name of 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide (CID 114385022) is 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide?
The canonical SMILES for 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide is CC(Cc1cccs1)NCCS(N)(=O)=O.
What is the InChIKey of 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide?
The InChIKey is JTFBGFWTPIRKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-8(7-9-3-2-5-14-9)11-4-6-15(10,12)13/h2-3,5,8,11H,4,6-7H2,1H3,(H2,10,12,13).
What are the key properties of 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide?
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide has a molecular weight of 248.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 114385022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).