N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine

C18H31NOS — CID 105017704

IUPACN-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCSC2)C1)C1C2CCCC21
InChIInChI=1S/C18H31NOS/c1-2-8-19-17(16-14-4-3-5-15(14)16)13-6-9-20-18(11-13)7-10-21-12-18/h13-17,19H,2-12H2,1H3
InChIKeyLHJPJANJGHQBTK-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.70
Rot. Bonds5

About N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine

N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine (PubChem CID 105017704) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
PubChem CID105017704
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC NameN-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCSC2)C1)C1C2CCCC21
InChIInChI=1S/C18H31NOS/c1-2-8-19-17(16-14-4-3-5-15(14)16)13-6-9-20-18(11-13)7-10-21-12-18/h13-17,19H,2-12H2,1H3
InChIKeyLHJPJANJGHQBTK-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80626644
N-[(3-methyloxolan-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017744
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908697
N-[(2-methylcyclopropyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79911525
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79912064
2-methoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 116758127
N-[7-bicyclo[4.1.0]heptanyl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016661
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170732
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882

Frequently Asked Questions

What is the IUPAC name of N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The IUPAC name of N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine (CID 105017704) is N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The canonical SMILES for N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine is CCCNC(C1CCOC2(CCSC2)C1)C1C2CCCC21.
What is the InChIKey of N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The InChIKey is LHJPJANJGHQBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOS/c1-2-8-19-17(16-14-4-3-5-15(14)16)13-6-9-20-18(11-13)7-10-21-12-18/h13-17,19H,2-12H2,1H3.
What are the key properties of N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine is sourced from PubChem (CID 105017704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).