3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine

C14H25NOS — CID 79923611

IUPAC3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
SMILESNC1CCC(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C14H25NOS/c15-13-2-1-11(9-13)12-3-6-16-14(10-12)4-7-17-8-5-14/h11-13H,1-10,15H2
InChIKeyRLHATNCRFJEVRP-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.81
Rot. Bonds1

About 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine

3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine (PubChem CID 79923611) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
PubChem CID79923611
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
SMILESNC1CCC(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C14H25NOS/c15-13-2-1-11(9-13)12-3-6-16-14(10-12)4-7-17-8-5-14/h11-13H,1-10,15H2
InChIKeyRLHATNCRFJEVRP-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine
CID 10013382
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79911492
3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018043
(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116580845
4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane
CID 115410369
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 83261331
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283
4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The IUPAC name of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine (CID 79923611) is 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine is NC1CCC(C2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The InChIKey is RLHATNCRFJEVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c15-13-2-1-11(9-13)12-3-6-16-14(10-12)4-7-17-8-5-14/h11-13H,1-10,15H2.
What are the key properties of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 79923611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).