2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide

C13H23NO3S2 — CID 38256658

IUPAC2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCOCC(C)C)c(C)s1
InChIInChI=1S/C13H23NO3S2/c1-10(2)9-17-7-5-6-14-19(15,16)13-8-11(3)18-12(13)4/h8,10,14H,5-7,9H2,1-4H3
InChIKeyOVLRAFUGVLIEFE-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.71
Rot. Bonds8

About 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide (PubChem CID 38256658) has the molecular formula C13H23NO3S2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide
PubChem CID38256658
Molecular FormulaC13H23NO3S2
Molecular Weight305.46 g/mol
Exact Mass305.11
IUPAC Name2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCOCC(C)C)c(C)s1
InChIInChI=1S/C13H23NO3S2/c1-10(2)9-17-7-5-6-14-19(15,16)13-8-11(3)18-12(13)4/h8,10,14H,5-7,9H2,1-4H3
InChIKeyOVLRAFUGVLIEFE-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085403
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682966
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
2-chloro-5-cyano-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 104918532
3-(aminomethyl)-4-methyl-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 106000024
2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide
CID 99852270
2-cyano-3-fluoro-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 103833423
N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64542146
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
CID 47072937
2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
CID 61247710
5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 104654561

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide (CID 38256658) is 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCCOCC(C)C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide?
The InChIKey is OVLRAFUGVLIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S2/c1-10(2)9-17-7-5-6-14-19(15,16)13-8-11(3)18-12(13)4/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide has a molecular weight of 305.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 38256658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).