5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide

C11H20N2O4S3 — CID 15707352

IUPAC5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide
SMILESCC(C)CNCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H20N2O4S3/c1-9(2)8-13-6-3-7-19(14,15)10-4-5-11(18-10)20(12,16)17/h4-5,9,13H,3,6-8H2,1-2H3,(H2,12,16,17)
InChIKeyCMLMIINENSPQKQ-UHFFFAOYSA-N
MW340.49 g/mol
LogP0.80
Rot. Bonds8

About 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide

5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide (PubChem CID 15707352) has the molecular formula C11H20N2O4S3 and a molecular weight of 340.49 g/mol. Its IUPAC name is 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide
PubChem CID15707352
Molecular FormulaC11H20N2O4S3
Molecular Weight340.49 g/mol
Exact Mass340.06
IUPAC Name5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide
SMILESCC(C)CNCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H20N2O4S3/c1-9(2)8-13-6-3-7-19(14,15)10-4-5-11(18-10)20(12,16)17/h4-5,9,13H,3,6-8H2,1-2H3,(H2,12,16,17)
InChIKeyCMLMIINENSPQKQ-UHFFFAOYSA-N
XLogP0.80
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 50.80
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 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide (CID 15707352) is 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide is CC(C)CNCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide?
The InChIKey is CMLMIINENSPQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S3/c1-9(2)8-13-6-3-7-19(14,15)10-4-5-11(18-10)20(12,16)17/h4-5,9,13H,3,6-8H2,1-2H3,(H2,12,16,17).
What are the key properties of 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide?
5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropylamino)propylsulfonyl]thiophene-2-sulfonamide is sourced from PubChem (CID 15707352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).