5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide

C18H19ClN4O3S2 — CID 89419870

IUPAC5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)c([C@]3(C)CS(=O)(=O)C4(CC4)C(N)=N3)s2)n1
InChIInChI=1S/C18H19ClN4O3S2/c1-10-4-3-5-13(21-10)22-15(24)12-8-11(19)14(27-12)17(2)9-28(25,26)18(6-7-18)16(20)23-17/h3-5,8H,6-7,9H2,1-2H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1
InChIKeyMYOKSGUEBFQLKZ-KRWDZBQOSA-N
MW438.96 g/mol
LogP2.89
Rot. Bonds3

About 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide

5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 89419870) has the molecular formula C18H19ClN4O3S2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID89419870
Molecular FormulaC18H19ClN4O3S2
Molecular Weight438.96 g/mol
Exact Mass438.06
IUPAC Name5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)c([C@]3(C)CS(=O)(=O)C4(CC4)C(N)=N3)s2)n1
InChIInChI=1S/C18H19ClN4O3S2/c1-10-4-3-5-13(21-10)22-15(24)12-8-11(19)14(27-12)17(2)9-28(25,26)18(6-7-18)16(20)23-17/h3-5,8H,6-7,9H2,1-2H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1
InChIKeyMYOKSGUEBFQLKZ-KRWDZBQOSA-N
XLogP2.89
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 89419870) is 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1cccc(NC(=O)c2cc(Cl)c([C@]3(C)CS(=O)(=O)C4(CC4)C(N)=N3)s2)n1.
What is the InChIKey of 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is MYOKSGUEBFQLKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN4O3S2/c1-10-4-3-5-13(21-10)22-15(24)12-8-11(19)14(27-12)17(2)9-28(25,26)18(6-7-18)16(20)23-17/h3-5,8H,6-7,9H2,1-2H3,(H2,20,23)(H,21,22,24)/t17-/m0/s1.
What are the key properties of 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide?
5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-chloro-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 89419870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).