3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide

C13H24N2O2S — CID 115894937

IUPAC3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide
SMILESCC(CC(N)=O)NC1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H24N2O2S/c1-10(8-12(14)16)15-11-2-5-17-13(9-11)3-6-18-7-4-13/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyABLZCQMKZAXECZ-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.28
Rot. Bonds4

About 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide

3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide (PubChem CID 115894937) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide.

Molecular Properties

Compound Name3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide
PubChem CID115894937
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide
SMILESCC(CC(N)=O)NC1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H24N2O2S/c1-10(8-12(14)16)15-11-2-5-17-13(9-11)3-6-18-7-4-13/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyABLZCQMKZAXECZ-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide
CID 113349009
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide
CID 106174800
N-(1-ethoxypropan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895529
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
CID 104585278
2-ethyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79902229
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
2-cyclopropyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)acetic acid
CID 79893976

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide?
The IUPAC name of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide (CID 115894937) is 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide.
What is the SMILES notation for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide?
The canonical SMILES for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide is CC(CC(N)=O)NC1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide?
The InChIKey is ABLZCQMKZAXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10(8-12(14)16)15-11-2-5-17-13(9-11)3-6-18-7-4-13/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide?
3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide has a molecular weight of 272.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide is sourced from PubChem (CID 115894937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).