2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole

C19H25N3O2S2 — CID 97482837

IUPAC2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C19H25N3O2S2/c23-26(24,14-17-5-2-1-3-6-17)22-11-8-19(16-22)7-4-10-21(15-19)13-18-20-9-12-25-18/h1-3,5-6,9,12H,4,7-8,10-11,13-16H2/t19-/m1/s1
InChIKeyMNWAMSCKOVLRPH-LJQANCHMSA-N
MW391.56 g/mol
LogP2.96
Rot. Bonds5

About 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole

2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole (PubChem CID 97482837) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
PubChem CID97482837
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC Name2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C19H25N3O2S2/c23-26(24,14-17-5-2-1-3-6-17)22-11-8-19(16-22)7-4-10-21(15-19)13-18-20-9-12-25-18/h1-3,5-6,9,12H,4,7-8,10-11,13-16H2/t19-/m1/s1
InChIKeyMNWAMSCKOVLRPH-LJQANCHMSA-N
XLogP2.96
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
4-[[(5S)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483078
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
2-[[2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131657936
2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97482790
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482915
(6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450065
(5S)-10-methylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472248
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,2-oxazole
CID 134074834
(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 95717588

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole (CID 97482837) is 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole is O=S(=O)(Cc1ccccc1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1.
What is the InChIKey of 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The InChIKey is MNWAMSCKOVLRPH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c23-26(24,14-17-5-2-1-3-6-17)22-11-8-19(16-22)7-4-10-21(15-19)13-18-20-9-12-25-18/h1-3,5-6,9,12H,4,7-8,10-11,13-16H2/t19-/m1/s1.
What are the key properties of 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole has a molecular weight of 391.56 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-2-benzylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97482837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).