N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide

C11H20N2O2S2 — CID 63865129

IUPACN-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1cccs1
InChIInChI=1S/C11H20N2O2S2/c1-9(10-6-5-7-16-10)12-8-11(2,3)13-17(4,14)15/h5-7,9,12-13H,8H2,1-4H3
InChIKeyGXNXFUMYRYDYNQ-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.73
Rot. Bonds6

About N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide (PubChem CID 63865129) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
PubChem CID63865129
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1cccs1
InChIInChI=1S/C11H20N2O2S2/c1-9(10-6-5-7-16-10)12-8-11(2,3)13-17(4,14)15/h5-7,9,12-13H,8H2,1-4H3
InChIKeyGXNXFUMYRYDYNQ-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide
CID 55256177
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 104536070
N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide
CID 64831171
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 104893383
N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
CID 115721127
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858734

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide (CID 63865129) is N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide is CC(NCC(C)(C)NS(C)(=O)=O)c1cccs1.
What is the InChIKey of N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide?
The InChIKey is GXNXFUMYRYDYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-9(10-6-5-7-16-10)12-8-11(2,3)13-17(4,14)15/h5-7,9,12-13H,8H2,1-4H3.
What are the key properties of N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63865129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).