2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole

C16H25N3O2S2 — CID 97370620

IUPAC2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
SMILESO=S(=O)(C1CC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C16H25N3O2S2/c20-23(21,14-1-2-14)19-10-5-16(6-11-19)3-8-18(9-4-16)13-15-17-7-12-22-15/h7,12,14H,1-6,8-11,13H2
InChIKeyLPZAWHRHEKRBOX-UHFFFAOYSA-N
MW355.53 g/mol
LogP2.31
Rot. Bonds4

About 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole

2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole (PubChem CID 97370620) has the molecular formula C16H25N3O2S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
PubChem CID97370620
Molecular FormulaC16H25N3O2S2
Molecular Weight355.53 g/mol
Exact Mass355.14
IUPAC Name2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
SMILESO=S(=O)(C1CC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C16H25N3O2S2/c20-23(21,14-1-2-14)19-10-5-16(6-11-19)3-8-18(9-4-16)13-15-17-7-12-22-15/h7,12,14H,1-6,8-11,13H2
InChIKeyLPZAWHRHEKRBOX-UHFFFAOYSA-N
XLogP2.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole (CID 97370620) is 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole is O=S(=O)(C1CC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1.
What is the InChIKey of 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole?
The InChIKey is LPZAWHRHEKRBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S2/c20-23(21,14-1-2-14)19-10-5-16(6-11-19)3-8-18(9-4-16)13-15-17-7-12-22-15/h7,12,14H,1-6,8-11,13H2.
What are the key properties of 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole?
2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole has a molecular weight of 355.53 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 97370620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).