5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide

C12H22N2O3S2 — CID 61447206

IUPAC5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H22N2O3S2/c1-2-3-8-14(9-10-15)19(16,17)12-5-4-11(18-12)6-7-13/h4-5,15H,2-3,6-10,13H2,1H3
InChIKeyTYCQVHGMQMOGFG-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.03
Rot. Bonds9

About 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 61447206) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID61447206
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC Name5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H22N2O3S2/c1-2-3-8-14(9-10-15)19(16,17)12-5-4-11(18-12)6-7-13/h4-5,15H,2-3,6-10,13H2,1H3
InChIKeyTYCQVHGMQMOGFG-UHFFFAOYSA-N
XLogP1.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide (CID 61447206) is 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide is CCCCN(CCO)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is TYCQVHGMQMOGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-2-3-8-14(9-10-15)19(16,17)12-5-4-11(18-12)6-7-13/h4-5,15H,2-3,6-10,13H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-butyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61447206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).