2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide

C14H22N4O2S2 — CID 75515433

IUPAC2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCNC(C)c2cnn(C)c2)c(C)s1
InChIInChI=1S/C14H22N4O2S2/c1-10-7-14(12(3)21-10)22(19,20)17-6-5-15-11(2)13-8-16-18(4)9-13/h7-9,11,15,17H,5-6H2,1-4H3
InChIKeyLLDRZWNDJIWBKQ-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.73
Rot. Bonds7

About 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide (PubChem CID 75515433) has the molecular formula C14H22N4O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide
PubChem CID75515433
Molecular FormulaC14H22N4O2S2
Molecular Weight342.49 g/mol
Exact Mass342.12
IUPAC Name2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCNC(C)c2cnn(C)c2)c(C)s1
InChIInChI=1S/C14H22N4O2S2/c1-10-7-14(12(3)21-10)22(19,20)17-6-5-15-11(2)13-8-16-18(4)9-13/h7-9,11,15,17H,5-6H2,1-4H3
InChIKeyLLDRZWNDJIWBKQ-UHFFFAOYSA-N
XLogP1.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide (CID 75515433) is 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCNC(C)c2cnn(C)c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide?
The InChIKey is LLDRZWNDJIWBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S2/c1-10-7-14(12(3)21-10)22(19,20)17-6-5-15-11(2)13-8-16-18(4)9-13/h7-9,11,15,17H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide has a molecular weight of 342.49 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 75515433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).