N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide

C14H26N2O3S2 — CID 106080757

IUPACN-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1sc(S(=O)(=O)NC(C)(C)COC)cc1C
InChIInChI=1S/C14H26N2O3S2/c1-6-7-15-9-12-11(2)8-13(20-12)21(17,18)16-14(3,4)10-19-5/h8,15-16H,6-7,9-10H2,1-5H3
InChIKeyUJJINAXMSNMCHL-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.26
Rot. Bonds9

About N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide

N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106080757) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106080757
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1sc(S(=O)(=O)NC(C)(C)COC)cc1C
InChIInChI=1S/C14H26N2O3S2/c1-6-7-15-9-12-11(2)8-13(20-12)21(17,18)16-14(3,4)10-19-5/h8,15-16H,6-7,9-10H2,1-5H3
InChIKeyUJJINAXMSNMCHL-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106079253
N-(4-methoxybutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106067648
4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106075417
5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114135437
5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114132191
N-(1-methoxy-2-methylpropan-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106080715
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
N-(1-cyclobutylethyl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106084948
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106072586
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 115988696

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106080757) is N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1sc(S(=O)(=O)NC(C)(C)COC)cc1C.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is UJJINAXMSNMCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-6-7-15-9-12-11(2)8-13(20-12)21(17,18)16-14(3,4)10-19-5/h8,15-16H,6-7,9-10H2,1-5H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106080757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).