3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine

C17H29NOS — CID 79908099

IUPAC3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESNC1(C2CCOC3(CCSC3)C2)CCCC(C2CC2)C1
InChIInChI=1S/C17H29NOS/c18-17(6-1-2-14(10-17)13-3-4-13)15-5-8-19-16(11-15)7-9-20-12-16/h13-15H,1-12,18H2
InChIKeyWMAWQOWBTROHFC-UHFFFAOYSA-N
MW295.49 g/mol
LogP3.59
Rot. Bonds2

About 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine

3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine (PubChem CID 79908099) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
PubChem CID79908099
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESNC1(C2CCOC3(CCSC3)C2)CCCC(C2CC2)C1
InChIInChI=1S/C17H29NOS/c18-17(6-1-2-14(10-17)13-3-4-13)15-5-8-19-16(11-15)7-9-20-12-16/h13-15H,1-12,18H2
InChIKeyWMAWQOWBTROHFC-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine (CID 79908099) is 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine is NC1(C2CCOC3(CCSC3)C2)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The InChIKey is WMAWQOWBTROHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c18-17(6-1-2-14(10-17)13-3-4-13)15-5-8-19-16(11-15)7-9-20-12-16/h13-15H,1-12,18H2.
What are the key properties of 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine is sourced from PubChem (CID 79908099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).