N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

C13H23NOS — CID 107166637

IUPACN-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCC1(CNC2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C13H23NOS/c1-12(3-4-12)9-14-11-2-6-15-13(8-11)5-7-16-10-13/h11,14H,2-10H2,1H3
InChIKeyPREYQFQKKSDSLF-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.43
Rot. Bonds3

About N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 107166637) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID107166637
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCC1(CNC2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C13H23NOS/c1-12(3-4-12)9-14-11-2-6-15-13(8-11)5-7-16-10-13/h11,14H,2-10H2,1H3
InChIKeyPREYQFQKKSDSLF-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
CID 106176597
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N'-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106045761
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 107166637) is N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is CC1(CNC2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is PREYQFQKKSDSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-12(3-4-12)9-14-11-2-6-15-13(8-11)5-7-16-10-13/h11,14H,2-10H2,1H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 241.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 107166637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).