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

C15H27NOS2 — CID 103904016

IUPACN-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCSC1CCCCC1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H27NOS2/c1-18-14-5-3-2-4-13(14)16-12-6-8-17-15(10-12)7-9-19-11-15/h12-14,16H,2-11H2,1H3
InChIKeyOOQXVXNUKDNKOU-UHFFFAOYSA-N
MW301.52 g/mol
LogP3.30
Rot. Bonds3

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

N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 103904016) has the molecular formula C15H27NOS2 and a molecular weight of 301.52 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID103904016
Molecular FormulaC15H27NOS2
Molecular Weight301.52 g/mol
Exact Mass301.15
IUPAC NameN-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCSC1CCCCC1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H27NOS2/c1-18-14-5-3-2-4-13(14)16-12-6-8-17-15(10-12)7-9-19-11-15/h12-14,16H,2-11H2,1H3
InChIKeyOOQXVXNUKDNKOU-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904026
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
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-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80720172
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
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 103904016) is N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is CSC1CCCCC1NC1CCOC2(CCSC2)C1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is OOQXVXNUKDNKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS2/c1-18-14-5-3-2-4-13(14)16-12-6-8-17-15(10-12)7-9-19-11-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 301.52 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 103904016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).