2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide

C13H24N2O2S2 — CID 106335429

IUPAC2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H24N2O2S2/c1-13(2,3)12-7-6-11(18-12)10-14-8-9-19(16,17)15(4)5/h6-7,14H,8-10H2,1-5H3
InChIKeyAWIGONIXTPLLKN-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.03
Rot. Bonds6

About 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide

2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide (PubChem CID 106335429) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
PubChem CID106335429
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H24N2O2S2/c1-13(2,3)12-7-6-11(18-12)10-14-8-9-19(16,17)15(4)5/h6-7,14H,8-10H2,1-5H3
InChIKeyAWIGONIXTPLLKN-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-[3-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265160
4-[4-(Butylaminomethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265187
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide
CID 1817801
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176
1-(methylsulfonyl)-N-[1-(2-thienyl)propyl]piperidin-4-amine
CID 43628724
N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide
CID 56824124
N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide
CID 56824136
3-(2,2-Dimethyl-4-methylsulfonylbutyl)-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
CID 72006276

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide (CID 106335429) is 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is AWIGONIXTPLLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-13(2,3)12-7-6-11(18-12)10-14-8-9-19(16,17)15(4)5/h6-7,14H,8-10H2,1-5H3.
What are the key properties of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide?
2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106335429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).