N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide

C13H24N2O3S2 — CID 106014191

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1cc(CO)sc1C
InChIInChI=1S/C13H24N2O3S2/c1-5-10(2)15(4)7-6-14-20(17,18)13-8-12(9-16)19-11(13)3/h8,10,14,16H,5-7,9H2,1-4H3
InChIKeyXCDJAYZSYOXREC-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.56
Rot. Bonds8

About N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106014191) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide
PubChem CID106014191
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1cc(CO)sc1C
InChIInChI=1S/C13H24N2O3S2/c1-5-10(2)15(4)7-6-14-20(17,18)13-8-12(9-16)19-11(13)3/h8,10,14,16H,5-7,9H2,1-4H3
InChIKeyXCDJAYZSYOXREC-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
CID 106433635
N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide
CID 106014183
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
CID 114132852
2-bromo-5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055664
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336
4-(aminomethyl)-2-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]benzenesulfonamide
CID 106094270
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-chloro-4-cyanobenzenesulfonamide
CID 103989367
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000848
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide (CID 106014191) is N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide is CCC(C)N(C)CCNS(=O)(=O)c1cc(CO)sc1C.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is XCDJAYZSYOXREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-5-10(2)15(4)7-6-14-20(17,18)13-8-12(9-16)19-11(13)3/h8,10,14,16H,5-7,9H2,1-4H3.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106014191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).