2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine

C10H19NOS2 — CID 79905629

IUPAC2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
SMILESNCCSC1CCOC2(CCSC2)C1
InChIInChI=1S/C10H19NOS2/c11-3-6-14-9-1-4-12-10(7-9)2-5-13-8-10/h9H,1-8,11H2
InChIKeyNRLVRYDDTQFTLS-UHFFFAOYSA-N
MW233.40 g/mol
LogP1.73
Rot. Bonds3

About 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine

2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine (PubChem CID 79905629) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
PubChem CID79905629
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC Name2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
SMILESNCCSC1CCOC2(CCSC2)C1
InChIInChI=1S/C10H19NOS2/c11-3-6-14-9-1-4-12-10(7-9)2-5-13-8-10/h9H,1-8,11H2
InChIKeyNRLVRYDDTQFTLS-UHFFFAOYSA-N
XLogP1.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol
CID 79899699
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906078
2-amino-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)butanoic acid
CID 79905978
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
2-formamido-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)butanoic acid
CID 79906053
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
2-acetamido-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propanoic acid
CID 79905395
(2R)-2-amino-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propanoic acid
CID 79906197
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)butan-1-amine
CID 79905431
[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116603224
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine?
The IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine (CID 79905629) is 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine is NCCSC1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine?
The InChIKey is NRLVRYDDTQFTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS2/c11-3-6-14-9-1-4-12-10(7-9)2-5-13-8-10/h9H,1-8,11H2.
What are the key properties of 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine?
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine has a molecular weight of 233.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine is sourced from PubChem (CID 79905629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).