3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine

C12H23NO4S — CID 81198498

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO4S/c1-10(7-13)8-18(14,15)11-2-4-17-12(6-11)3-5-16-9-12/h10-11H,2-9,13H2,1H3
InChIKeyFUZFCYOZKRWIHO-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.33
Rot. Bonds4

About 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine

3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine (PubChem CID 81198498) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine
PubChem CID81198498
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H23NO4S/c1-10(7-13)8-18(14,15)11-2-4-17-12(6-11)3-5-16-9-12/h10-11H,2-9,13H2,1H3
InChIKeyFUZFCYOZKRWIHO-UHFFFAOYSA-N
XLogP0.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)butanoic acid
CID 79905814
2-(1-oxaspiro[5.5]undecan-4-ylsulfonyl)propan-1-amine
CID 81187744
1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfonyl)butan-2-amine
CID 81193985
3-(1,9-dioxaspiro[5.5]undecan-4-ylsulfonyl)butanoic acid
CID 79906037
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentyl]hydrazine
CID 105207730
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
CID 79894733
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine (CID 81198498) is 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is FUZFCYOZKRWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-10(7-13)8-18(14,15)11-2-4-17-12(6-11)3-5-16-9-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine?
3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81198498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).