2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine

C13H25NO3S — CID 81187744

IUPAC2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H25NO3S/c1-11(10-14)18(15,16)12-5-8-17-13(9-12)6-3-2-4-7-13/h11-12H,2-10,14H2,1H3
InChIKeyUFKNTZHXOXUBGM-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine

2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine (PubChem CID 81187744) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine
PubChem CID81187744
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H25NO3S/c1-11(10-14)18(15,16)12-5-8-17-13(9-12)6-3-2-4-7-13/h11-12H,2-10,14H2,1H3
InChIKeyUFKNTZHXOXUBGM-UHFFFAOYSA-N
XLogP1.63
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,9-dioxaspiro[5.5]undecan-4-ylsulfonyl)butanoic acid
CID 79906037
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)acetic acid
CID 79906251
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)butanoic acid
CID 79905814
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine
CID 81198498
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
2-(aminomethyl)-4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116597880
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116573884

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine (CID 81187744) is 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine is CC(CN)S(=O)(=O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine?
The InChIKey is UFKNTZHXOXUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-11(10-14)18(15,16)12-5-8-17-13(9-12)6-3-2-4-7-13/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine?
2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine has a molecular weight of 275.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine is sourced from PubChem (CID 81187744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).