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

C12H22N2O3S2 — CID 106014193

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C12H22N2O3S2/c1-4-10(2)14(3)8-7-13-19(16,17)12-6-5-11(9-15)18-12/h5-6,10,13,15H,4,7-9H2,1-3H3
InChIKeyHVKPULNDMGKGSO-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.25
Rot. Bonds8

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

N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide (PubChem CID 106014193) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
PubChem CID106014193
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C12H22N2O3S2/c1-4-10(2)14(3)8-7-13-19(16,17)12-6-5-11(9-15)18-12/h5-6,10,13,15H,4,7-9H2,1-3H3
InChIKeyHVKPULNDMGKGSO-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide
CID 106014191
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
CID 107818588
N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide
CID 106014183
5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83147123
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
CID 114132852
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
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
N-(3,3-dimethylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 114135429

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide (CID 106014193) is N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide is CCC(C)N(C)CCNS(=O)(=O)c1ccc(CO)s1.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide?
The InChIKey is HVKPULNDMGKGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-4-10(2)14(3)8-7-13-19(16,17)12-6-5-11(9-15)18-12/h5-6,10,13,15H,4,7-9H2,1-3H3.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 1.25, 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)thiophene-2-sulfonamide is sourced from PubChem (CID 106014193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).