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

C16H29NOS — CID 79903163

IUPACN-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCC1(C)CCCCC1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C16H29NOS/c1-15(2)7-4-3-5-14(15)17-13-6-9-18-16(11-13)8-10-19-12-16/h13-14,17H,3-12H2,1-2H3
InChIKeyDPMUVADXZYYHSG-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.60
Rot. Bonds2

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

N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79903163) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79903163
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCC1(C)CCCCC1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C16H29NOS/c1-15(2)7-4-3-5-14(15)17-13-6-9-18-16(11-13)8-10-19-12-16/h13-14,17H,3-12H2,1-2H3
InChIKeyDPMUVADXZYYHSG-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903322
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
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
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81385058
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883
1-cycloheptyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97235483
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
CID 79903697

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79903163) is N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is CC1(C)CCCCC1NC1CCOC2(CCSC2)C1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is DPMUVADXZYYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-15(2)7-4-3-5-14(15)17-13-6-9-18-16(11-13)8-10-19-12-16/h13-14,17H,3-12H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 283.48 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).