[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

C15H25NO3S — CID 116603224

IUPAC[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESNCC1(C(=O)C2CCOC3(CCSC3)C2)CCOCC1
InChIInChI=1S/C15H25NO3S/c16-10-14(2-6-18-7-3-14)13(17)12-1-5-19-15(9-12)4-8-20-11-15/h12H,1-11,16H2
InChIKeyKZQZHNLJTSBJHR-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.61
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 116603224) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID116603224
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESNCC1(C(=O)C2CCOC3(CCSC3)C2)CCOCC1
InChIInChI=1S/C15H25NO3S/c16-10-14(2-6-18-7-3-14)13(17)12-1-5-19-15(9-12)4-8-20-11-15/h12H,1-11,16H2
InChIKeyKZQZHNLJTSBJHR-UHFFFAOYSA-N
XLogP1.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone with MolForge

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Related Compounds

(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
CID 116602976
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
CID 79908896
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
CID 79912993
2-(4-chlorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
CID 79913122
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
CID 79905629

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 116603224) is [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is NCC1(C(=O)C2CCOC3(CCSC3)C2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is KZQZHNLJTSBJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c16-10-14(2-6-18-7-3-14)13(17)12-1-5-19-15(9-12)4-8-20-11-15/h12H,1-11,16H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 299.44 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 116603224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).