2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole

C14H23N3O2S2 — CID 97370810

IUPAC2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCCC[C@@]12CCCN(Cc1nccs1)C2
InChIInChI=1S/C14H23N3O2S2/c1-21(18,19)17-9-3-2-5-14(17)6-4-8-16(12-14)11-13-15-7-10-20-13/h7,10H,2-6,8-9,11-12H2,1H3/t14-/m0/s1
InChIKeyDGWVVISPROPCPC-AWEZNQCLSA-N
MW329.49 g/mol
LogP1.92
Rot. Bonds3

About 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole

2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole (PubChem CID 97370810) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole
PubChem CID97370810
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCCC[C@@]12CCCN(Cc1nccs1)C2
InChIInChI=1S/C14H23N3O2S2/c1-21(18,19)17-9-3-2-5-14(17)6-4-8-16(12-14)11-13-15-7-10-20-13/h7,10H,2-6,8-9,11-12H2,1H3/t14-/m0/s1
InChIKeyDGWVVISPROPCPC-AWEZNQCLSA-N
XLogP1.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole (CID 97370810) is 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole is CS(=O)(=O)N1CCCC[C@@]12CCCN(Cc1nccs1)C2.
What is the InChIKey of 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole?
The InChIKey is DGWVVISPROPCPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-21(18,19)17-9-3-2-5-14(17)6-4-8-16(12-14)11-13-15-7-10-20-13/h7,10H,2-6,8-9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole?
2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole has a molecular weight of 329.49 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6S)-1-methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).