N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C13H25NO2S2 — CID 113484095

IUPACN-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCC(CNC1CCOC2(CCSCC2)C1)S(C)=O
InChIInChI=1S/C13H25NO2S2/c1-11(18(2)15)10-14-12-3-6-16-13(9-12)4-7-17-8-5-13/h11-12,14H,3-10H2,1-2H3
InChIKeyCZVJFLXOKSCRBQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP1.79
Rot. Bonds4

About N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 113484095) has the molecular formula C13H25NO2S2 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID113484095
Molecular FormulaC13H25NO2S2
Molecular Weight291.48 g/mol
Exact Mass291.13
IUPAC NameN-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCC(CNC1CCOC2(CCSCC2)C1)S(C)=O
InChIInChI=1S/C13H25NO2S2/c1-11(18(2)15)10-14-12-3-6-16-13(9-12)4-7-17-8-5-13/h11-12,14H,3-10H2,1-2H3
InChIKeyCZVJFLXOKSCRBQ-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106285723
2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide
CID 106174800
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
CID 79895464
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 113484095) is N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is CC(CNC1CCOC2(CCSCC2)C1)S(C)=O.
What is the InChIKey of N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is CZVJFLXOKSCRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S2/c1-11(18(2)15)10-14-12-3-6-16-13(9-12)4-7-17-8-5-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 291.48 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 113484095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).