2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide

C10H18N2O2S2 — CID 102751985

IUPAC2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C10H18N2O2S2/c1-4-8(3)12-16(13,14)10-7(2)6-15-9(10)5-11/h6,8,12H,4-5,11H2,1-3H3
InChIKeyOZPMMVDGIXEBEK-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.59
Rot. Bonds5

About 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide (PubChem CID 102751985) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
PubChem CID102751985
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C10H18N2O2S2/c1-4-8(3)12-16(13,14)10-7(2)6-15-9(10)5-11/h6,8,12H,4-5,11H2,1-3H3
InChIKeyOZPMMVDGIXEBEK-UHFFFAOYSA-N
XLogP1.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide
CID 106061994
2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide
CID 102752632
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
CID 106085015
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
CID 106050910
2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide
CID 102754332
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide (CID 102751985) is 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide is CCC(C)NS(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide?
The InChIKey is OZPMMVDGIXEBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-4-8(3)12-16(13,14)10-7(2)6-15-9(10)5-11/h6,8,12H,4-5,11H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide has a molecular weight of 262.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102751985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).