2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine

C13H25NO3S — CID 102903038

IUPAC2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO3S/c1-11(8-14)9-18(15,16)10-12-4-7-13(17-12)5-2-3-6-13/h11-12H,2-10,14H2,1H3
InChIKeyVUMOPCXFCUCIIH-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.49
Rot. Bonds5

About 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine

2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine (PubChem CID 102903038) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine
PubChem CID102903038
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H25NO3S/c1-11(8-14)9-18(15,16)10-12-4-7-13(17-12)5-2-3-6-13/h11-12H,2-10,14H2,1H3
InChIKeyVUMOPCXFCUCIIH-UHFFFAOYSA-N
XLogP1.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine
CID 102903010
3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine
CID 81201292
2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine
CID 102902989
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)butan-1-amine
CID 102903017
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)cyclopentan-1-amine
CID 102898902
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 102899178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine (CID 102903038) is 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine is CC(CN)CS(=O)(=O)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine?
The InChIKey is VUMOPCXFCUCIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-11(8-14)9-18(15,16)10-12-4-7-13(17-12)5-2-3-6-13/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine?
2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine has a molecular weight of 275.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine is sourced from PubChem (CID 102903038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).