N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine

C13H25NO2S — CID 113472784

IUPACN-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCSCC(C)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2S/c1-11(10-17-2)14-12-3-6-16-13(9-12)4-7-15-8-5-13/h11-12,14H,3-10H2,1-2H3
InChIKeyZOWVDBBKIHVDGC-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.06
Rot. Bonds4

About N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 113472784) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID113472784
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCSCC(C)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H25NO2S/c1-11(10-17-2)14-12-3-6-16-13(9-12)4-7-15-8-5-13/h11-12,14H,3-10H2,1-2H3
InChIKeyZOWVDBBKIHVDGC-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
CID 79903083
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
CID 115733463
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894816
N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895528
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903596
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 113472784) is N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine is CSCC(C)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is ZOWVDBBKIHVDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-11(10-17-2)14-12-3-6-16-13(9-12)4-7-15-8-5-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 259.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 113472784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).