[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine

C14H25NOS — CID 81010128

IUPAC[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H25NOS/c15-9-12-2-1-3-13(12)11-4-6-16-14(8-11)5-7-17-10-14/h11-13H,1-10,15H2
InChIKeyMSVDTMJJQMENLQ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.66
Rot. Bonds2

About [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine

[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine (PubChem CID 81010128) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
PubChem CID81010128
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H25NOS/c15-9-12-2-1-3-13(12)11-4-6-16-14(8-11)5-7-17-10-14/h11-13H,1-10,15H2
InChIKeyMSVDTMJJQMENLQ-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
CID 81033535
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900011
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 83261331
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79911492
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine
CID 116640553
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
CID 79905629

Frequently Asked Questions

What is the IUPAC name of [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine (CID 81010128) is [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine is NCC1CCCC1C1CCOC2(CCSC2)C1.
What is the InChIKey of [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine?
The InChIKey is MSVDTMJJQMENLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c15-9-12-2-1-3-13(12)11-4-6-16-14(8-11)5-7-17-10-14/h11-13H,1-10,15H2.
What are the key properties of [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine?
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine has a molecular weight of 255.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine is sourced from PubChem (CID 81010128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).