2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide

C11H16N4O2S2 — CID 106085015

IUPAC2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NC(C)c1ncc[nH]1
InChIInChI=1S/C11H16N4O2S2/c1-7-6-18-9(5-12)10(7)19(16,17)15-8(2)11-13-3-4-14-11/h3-4,6,8,15H,5,12H2,1-2H3,(H,13,14)
InChIKeyBPNATFAQNAKLDY-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.28
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide (PubChem CID 106085015) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
PubChem CID106085015
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NC(C)c1ncc[nH]1
InChIInChI=1S/C11H16N4O2S2/c1-7-6-18-9(5-12)10(7)19(16,17)15-8(2)11-13-3-4-14-11/h3-4,6,8,15H,5,12H2,1-2H3,(H,13,14)
InChIKeyBPNATFAQNAKLDY-UHFFFAOYSA-N
XLogP1.28
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
N-[1-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085042
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106084999
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088
5-amino-4-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 114626241
N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084997
3-(aminomethyl)-2,4-difluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085041
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085091
3-(aminomethyl)-5-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085043
2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071250

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide (CID 106085015) is 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)NC(C)c1ncc[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide?
The InChIKey is BPNATFAQNAKLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-7-6-18-9(5-12)10(7)19(16,17)15-8(2)11-13-3-4-14-11/h3-4,6,8,15H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106085015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).