N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide

C10H18N2O3S2 — CID 64542146

IUPACN-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(N)C(C)O)c(C)s1
InChIInChI=1S/C10H18N2O3S2/c1-6-4-10(8(3)16-6)17(14,15)12-5-9(11)7(2)13/h4,7,9,12-13H,5,11H2,1-3H3
InChIKeyPQUPZAQWWSTBRG-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.35
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide

N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 64542146) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID64542146
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC NameN-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(N)C(C)O)c(C)s1
InChIInChI=1S/C10H18N2O3S2/c1-6-4-10(8(3)16-6)17(14,15)12-5-9(11)7(2)13/h4,7,9,12-13H,5,11H2,1-3H3
InChIKeyPQUPZAQWWSTBRG-UHFFFAOYSA-N
XLogP0.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
CID 97239246
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82017296
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008
N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 97067960
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682966
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
CID 47072937
2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
CID 78878039
2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide
CID 78797888
N-(2-amino-3-hydroxybutyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 64539787
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide
CID 38256658

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide (CID 64542146) is N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCC(N)C(C)O)c(C)s1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is PQUPZAQWWSTBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-6-4-10(8(3)16-6)17(14,15)12-5-9(11)7(2)13/h4,7,9,12-13H,5,11H2,1-3H3.
What are the key properties of N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 64542146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).