N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C16H29NOS — CID 79903531

IUPACN-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCC1CC(C)CC(NC2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C16H29NOS/c1-12-7-13(2)9-15(8-12)17-14-3-5-18-16(10-14)4-6-19-11-16/h12-15,17H,3-11H2,1-2H3
InChIKeyYFUPNVVCWGZKDO-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.46
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79903531) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79903531
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCC1CC(C)CC(NC2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C16H29NOS/c1-12-7-13(2)9-15(8-12)17-14-3-5-18-16(10-14)4-6-19-11-16/h12-15,17H,3-11H2,1-2H3
InChIKeyYFUPNVVCWGZKDO-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-propylpiperidin-4-amine
CID 79895232
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80720172
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine
CID 82759904
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
CID 79903697
N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903238

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79903531) is N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is CC1CC(C)CC(NC2CCOC3(CCSC3)C2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is YFUPNVVCWGZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-12-7-13(2)9-15(8-12)17-14-3-5-18-16(10-14)4-6-19-11-16/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 283.48 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).