4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide

C10H18N2O2S2 — CID 61300540

IUPAC4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H18N2O2S2/c1-4-8(2)6-12(3)16(13,14)10-5-9(11)7-15-10/h5,7-8H,4,6,11H2,1-3H3
InChIKeyPJQAMJKZIWVWLQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.00
Rot. Bonds5

About 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide

4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide (PubChem CID 61300540) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
PubChem CID61300540
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H18N2O2S2/c1-4-8(2)6-12(3)16(13,14)10-5-9(11)7-15-10/h5,7-8H,4,6,11H2,1-3H3
InChIKeyPJQAMJKZIWVWLQ-UHFFFAOYSA-N
XLogP2.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide (CID 61300540) is 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide is CCC(C)CN(C)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide?
The InChIKey is PJQAMJKZIWVWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-4-8(2)6-12(3)16(13,14)10-5-9(11)7-15-10/h5,7-8H,4,6,11H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide?
4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide has a molecular weight of 262.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61300540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).