4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide

C11H21N3O2S2 — CID 61298587

IUPAC4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H21N3O2S2/c1-3-14(4-2)7-5-6-13-18(15,16)11-8-10(12)9-17-11/h8-9,13H,3-7,12H2,1-2H3
InChIKeySGYVHLPZIWMSNN-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.34
Rot. Bonds8

About 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide

4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide (PubChem CID 61298587) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide
PubChem CID61298587
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC Name4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H21N3O2S2/c1-3-14(4-2)7-5-6-13-18(15,16)11-8-10(12)9-17-11/h8-9,13H,3-7,12H2,1-2H3
InChIKeySGYVHLPZIWMSNN-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide (CID 61298587) is 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide is CCN(CC)CCCNS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide?
The InChIKey is SGYVHLPZIWMSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-3-14(4-2)7-5-6-13-18(15,16)11-8-10(12)9-17-11/h8-9,13H,3-7,12H2,1-2H3.
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide?
4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61298587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).