3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide

C12H22N2O2S — CID 113349009

IUPAC3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide
SMILESCC(CC(N)=O)NC1CCOC2(CCSC2)C1
InChIInChI=1S/C12H22N2O2S/c1-9(6-11(13)15)14-10-2-4-16-12(7-10)3-5-17-8-12/h9-10,14H,2-8H2,1H3,(H2,13,15)
InChIKeyLHTXEICLUCVHNP-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.89
Rot. Bonds4

About 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide

3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide (PubChem CID 113349009) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide.

Molecular Properties

Compound Name3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide
PubChem CID113349009
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide
SMILESCC(CC(N)=O)NC1CCOC2(CCSC2)C1
InChIInChI=1S/C12H22N2O2S/c1-9(6-11(13)15)14-10-2-4-16-12(7-10)3-5-17-8-12/h9-10,14H,2-8H2,1H3,(H2,13,15)
InChIKeyLHTXEICLUCVHNP-UHFFFAOYSA-N
XLogP0.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide
CID 115894937
N-(1-ethoxypropan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895529
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81385058
2-cyclopropyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)acetic acid
CID 79893976
N-but-3-yn-2-yl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114416794
N-(4-phenylbutan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79899295
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765
N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81400625

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide?
The IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide (CID 113349009) is 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide.
What is the SMILES notation for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide?
The canonical SMILES for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide is CC(CC(N)=O)NC1CCOC2(CCSC2)C1.
What is the InChIKey of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide?
The InChIKey is LHTXEICLUCVHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9(6-11(13)15)14-10-2-4-16-12(7-10)3-5-17-8-12/h9-10,14H,2-8H2,1H3,(H2,13,15).
What are the key properties of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide?
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide has a molecular weight of 258.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide is sourced from PubChem (CID 113349009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).