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

C12H23NOS — CID 79915541

IUPACN-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCOC2(CCSC2)C1
InChIInChI=1S/C12H23NOS/c1-10(2)13-8-11-3-5-14-12(7-11)4-6-15-9-12/h10-11,13H,3-9H2,1-2H3
InChIKeyJLDXGVBISYVJBN-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.29
Rot. Bonds3

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

N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine (PubChem CID 79915541) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
PubChem CID79915541
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCOC2(CCSC2)C1
InChIInChI=1S/C12H23NOS/c1-10(2)13-8-11-3-5-14-12(7-11)4-6-15-9-12/h10-11,13H,3-9H2,1-2H3
InChIKeyJLDXGVBISYVJBN-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylpropan-1-amine
CID 79922745
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
CID 79922985
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79923979
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-one
CID 79894494
2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
CID 79914967
4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
CID 79923999
3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
CID 81023417
N-[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]cyclopropanamine
CID 79920791
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457

Frequently Asked Questions

What is the IUPAC name of N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine?
The IUPAC name of N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine (CID 79915541) is N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine?
The canonical SMILES for N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine is CC(C)NCC1CCOC2(CCSC2)C1.
What is the InChIKey of N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine?
The InChIKey is JLDXGVBISYVJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10(2)13-8-11-3-5-14-12(7-11)4-6-15-9-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine?
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine has a molecular weight of 229.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine is sourced from PubChem (CID 79915541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).