8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C14H21N3O3S2 — CID 97493864

IUPAC8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(S(C)(=O)=O)CC3)cs1
InChIInChI=1S/C14H21N3O3S2/c1-11-15-12(10-21-11)9-17-13(18)3-4-14(17)5-7-16(8-6-14)22(2,19)20/h10H,3-9H2,1-2H3
InChIKeyREHFDQBLOQSXDX-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.37
Rot. Bonds3

About 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493864) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493864
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC Name8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(S(C)(=O)=O)CC3)cs1
InChIInChI=1S/C14H21N3O3S2/c1-11-15-12(10-21-11)9-17-13(18)3-4-14(17)5-7-16(8-6-14)22(2,19)20/h10H,3-9H2,1-2H3
InChIKeyREHFDQBLOQSXDX-UHFFFAOYSA-N
XLogP1.37
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one 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 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97493864) is 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2C(=O)CCC23CCN(S(C)(=O)=O)CC3)cs1.
What is the InChIKey of 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is REHFDQBLOQSXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-11-15-12(10-21-11)9-17-13(18)3-4-14(17)5-7-16(8-6-14)22(2,19)20/h10H,3-9H2,1-2H3.
What are the key properties of 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 343.47 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).