N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C16H22N4O4S2 — CID 92707546

IUPACN-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESC[C@@H](CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)N1CCOCC1
InChIInChI=1S/C16H22N4O4S2/c1-12(20-8-10-24-11-9-20)6-7-17-26(22,23)16-5-3-14(25-16)13-2-4-15(21)19-18-13/h2-5,12,17H,6-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyHRLCRFSTJFOFBA-LBPRGKRZSA-N
MW398.51 g/mol
LogP0.89
Rot. Bonds7

About N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 92707546) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID92707546
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC NameN-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESC[C@@H](CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)N1CCOCC1
InChIInChI=1S/C16H22N4O4S2/c1-12(20-8-10-24-11-9-20)6-7-17-26(22,23)16-5-3-14(25-16)13-2-4-15(21)19-18-13/h2-5,12,17H,6-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyHRLCRFSTJFOFBA-LBPRGKRZSA-N
XLogP0.89
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 92707546) is N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is C[C@@H](CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)N1CCOCC1.
What is the InChIKey of N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is HRLCRFSTJFOFBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-12(20-8-10-24-11-9-20)6-7-17-26(22,23)16-5-3-14(25-16)13-2-4-15(21)19-18-13/h2-5,12,17H,6-11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 398.51 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-morpholin-4-ylbutyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 92707546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).