2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide

C13H18N2O3S2 — CID 102752632

IUPAC2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NC(C)Cc1ccco1
InChIInChI=1S/C13H18N2O3S2/c1-9-8-19-12(7-14)13(9)20(16,17)15-10(2)6-11-4-3-5-18-11/h3-5,8,10,15H,6-7,14H2,1-2H3
InChIKeyQFCVAPACAKUHSR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.02
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide (PubChem CID 102752632) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide
PubChem CID102752632
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NC(C)Cc1ccco1
InChIInChI=1S/C13H18N2O3S2/c1-9-8-19-12(7-14)13(9)20(16,17)15-10(2)6-11-4-3-5-18-11/h3-5,8,10,15H,6-7,14H2,1-2H3
InChIKeyQFCVAPACAKUHSR-UHFFFAOYSA-N
XLogP2.02
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 102752631
N-[(2R)-1-(furan-2-yl)propan-2-yl]-5-methylthiophene-2-sulfonamide
CID 34161122
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54913578
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086
N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936303
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 93056586

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide (CID 102752632) is 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)NC(C)Cc1ccco1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide?
The InChIKey is QFCVAPACAKUHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-9-8-19-12(7-14)13(9)20(16,17)15-10(2)6-11-4-3-5-18-11/h3-5,8,10,15H,6-7,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102752632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).