1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine

C17H31NOS — CID 79912985

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C17H31NOS/c1-13(2)14-3-6-17(18,7-4-14)15-5-9-19-16(11-15)8-10-20-12-16/h13-15H,3-12,18H2,1-2H3
InChIKeyJMGMLWSZLUVVIL-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.83
Rot. Bonds2

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 79912985) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID79912985
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C17H31NOS/c1-13(2)14-3-6-17(18,7-4-14)15-5-9-19-16(11-15)8-10-20-12-16/h13-15H,3-12,18H2,1-2H3
InChIKeyJMGMLWSZLUVVIL-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79900652
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79908105
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
CID 79912993
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79907813
3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 80692366
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107450145
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
9-(3-chloro-1-methylcyclopentyl)-6-oxa-2-thiaspiro[4.5]decane
CID 116540212
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine (CID 79912985) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(C2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is JMGMLWSZLUVVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOS/c1-13(2)14-3-6-17(18,7-4-14)15-5-9-19-16(11-15)8-10-20-12-16/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 297.51 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79912985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).