(5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

C17H18N4O2S — CID 124831115

IUPAC(5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@@H]1CN(C(=O)c2cnccn2)C[C@]12CCN(c1ccsc1)C2=O
InChIInChI=1S/C17H18N4O2S/c1-12-9-20(15(22)14-8-18-4-5-19-14)11-17(12)3-6-21(16(17)23)13-2-7-24-10-13/h2,4-5,7-8,10,12H,3,6,9,11H2,1H3/t12-,17-/m1/s1
InChIKeyMQIFQEWHKIFUJK-SJKOYZFVSA-N
MW342.42 g/mol
LogP2.05
Rot. Bonds2

About (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124831115) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124831115
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@@H]1CN(C(=O)c2cnccn2)C[C@]12CCN(c1ccsc1)C2=O
InChIInChI=1S/C17H18N4O2S/c1-12-9-20(15(22)14-8-18-4-5-19-14)11-17(12)3-6-21(16(17)23)13-2-7-24-10-13/h2,4-5,7-8,10,12H,3,6,9,11H2,1H3/t12-,17-/m1/s1
InChIKeyMQIFQEWHKIFUJK-SJKOYZFVSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 131690193
(5S,9S)-9-methyl-7-(oxane-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471836
9-(pyrazine-2-carbonyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451112
(3aR,6aS)-2-(pyrazine-2-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401822
(5S,9S)-9-methyl-7-(6-methylpyridazin-3-yl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 124795227
(5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471799
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
(5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124815499
(5S,9S)-9-methyl-2-prop-2-enyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471715
7-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155827489
(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone
CID 121200757
(5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131688273

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 124831115) is (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is C[C@@H]1CN(C(=O)c2cnccn2)C[C@]12CCN(c1ccsc1)C2=O.
What is the InChIKey of (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MQIFQEWHKIFUJK-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-9-20(15(22)14-8-18-4-5-19-14)11-17(12)3-6-21(16(17)23)13-2-7-24-10-13/h2,4-5,7-8,10,12H,3,6,9,11H2,1H3/t12-,17-/m1/s1.
What are the key properties of (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 342.42 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124831115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).