(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone

C14H20N2OS — CID 63157037

IUPAC(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESNc1ccsc1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H20N2OS/c15-11-3-10-18-12(11)13(17)16-8-6-14(7-9-16)4-1-2-5-14/h3,10H,1-2,4-9,15H2
InChIKeySZVUUERLNMHGHH-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.13
Rot. Bonds1

About (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone

(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 63157037) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID63157037
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESNc1ccsc1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H20N2OS/c15-11-3-10-18-12(11)13(17)16-8-6-14(7-9-16)4-1-2-5-14/h3,10H,1-2,4-9,15H2
InChIKeySZVUUERLNMHGHH-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (CID 63157037) is (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone is Nc1ccsc1C(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is SZVUUERLNMHGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-11-3-10-18-12(11)13(17)16-8-6-14(7-9-16)4-1-2-5-14/h3,10H,1-2,4-9,15H2.
What are the key properties of (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone?
(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 264.39 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 63157037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).