N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide

C13H24N2O2S2 — CID 103816261

IUPACN-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide
SMILESCC(C)(C)c1ccc(CNCCCNS(C)(=O)=O)s1
InChIInChI=1S/C13H24N2O2S2/c1-13(2,3)12-7-6-11(18-12)10-14-8-5-9-15-19(4,16)17/h6-7,14-15H,5,8-10H2,1-4H3
InChIKeySUKQFSGLTQGAIR-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.07
Rot. Bonds7

About N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide

N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide (PubChem CID 103816261) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide
PubChem CID103816261
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC NameN-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide
SMILESCC(C)(C)c1ccc(CNCCCNS(C)(=O)=O)s1
InChIInChI=1S/C13H24N2O2S2/c1-13(2,3)12-7-6-11(18-12)10-14-8-5-9-15-19(4,16)17/h6-7,14-15H,5,8-10H2,1-4H3
InChIKeySUKQFSGLTQGAIR-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(methylsulfonyl)-N-[1-(2-thienyl)propyl]piperidin-4-amine
CID 43628724
N-methyl-1-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]methanesulfonamide
CID 72022586
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine
CID 71980326
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 75515455
N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 75515782
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]methanesulfonamide
CID 93157794
N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 94197142
(2S)-4,4-difluoro-3,3-dimethyl-N-[(5-methylsulfonylthiophen-2-yl)methyl]butan-2-amine
CID 164628614
N-[3-(4-fluorophenyl)sulfonylpropyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 56068743
5-(ethylaminomethyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65773771
N,2-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65773972
N-ethyl-5-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65786324

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide (CID 103816261) is N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide is CC(C)(C)c1ccc(CNCCCNS(C)(=O)=O)s1.
What is the InChIKey of N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is SUKQFSGLTQGAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-13(2,3)12-7-6-11(18-12)10-14-8-5-9-15-19(4,16)17/h6-7,14-15H,5,8-10H2,1-4H3.
What are the key properties of N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide?
N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-tert-butylthiophen-2-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103816261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).