4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide

C9H16N4O2S2 — CID 83013468

IUPAC4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C9H16N4O2S2/c1-12-2-4-13(5-3-12)11-17(14,15)9-6-8(10)7-16-9/h6-7,11H,2-5,10H2,1H3
InChIKeyCLVNSRXKEMJGBD-UHFFFAOYSA-N
MW276.39 g/mol
LogP-0.23
Rot. Bonds3

About 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide

4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide (PubChem CID 83013468) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
PubChem CID83013468
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C9H16N4O2S2/c1-12-2-4-13(5-3-12)11-17(14,15)9-6-8(10)7-16-9/h6-7,11H,2-5,10H2,1H3
InChIKeyCLVNSRXKEMJGBD-UHFFFAOYSA-N
XLogP-0.23
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide (CID 83013468) is 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide is CN1CCN(NS(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The InChIKey is CLVNSRXKEMJGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-12-2-4-13(5-3-12)11-17(14,15)9-6-8(10)7-16-9/h6-7,11H,2-5,10H2,1H3.
What are the key properties of 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide has a molecular weight of 276.39 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 83013468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).