(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide

C15H22N4O2S — CID 97374203

IUPAC(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1nc(CN2C[C@]3(CCN(C(=O)N(C)C)C3)CC2=O)cs1
InChIInChI=1S/C15H22N4O2S/c1-11-16-12(8-22-11)7-19-10-15(6-13(19)20)4-5-18(9-15)14(21)17(2)3/h8H,4-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyAMEXTVJLGADBIH-OAHLLOKOSA-N
MW322.43 g/mol
LogP1.56
Rot. Bonds2

About (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide

(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 97374203) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID97374203
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1nc(CN2C[C@]3(CCN(C(=O)N(C)C)C3)CC2=O)cs1
InChIInChI=1S/C15H22N4O2S/c1-11-16-12(8-22-11)7-19-10-15(6-13(19)20)4-5-18(9-15)14(21)17(2)3/h8H,4-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyAMEXTVJLGADBIH-OAHLLOKOSA-N
XLogP1.56
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 97374203) is (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide is Cc1nc(CN2C[C@]3(CCN(C(=O)N(C)C)C3)CC2=O)cs1.
What is the InChIKey of (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is AMEXTVJLGADBIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-16-12(8-22-11)7-19-10-15(6-13(19)20)4-5-18(9-15)14(21)17(2)3/h8H,4-7,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97374203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).