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

C16H29NOS — CID 79914136

IUPACN-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H29NOS/c1-2-8-17-15(13-4-3-5-13)14-6-9-18-16(11-14)7-10-19-12-16/h13-15,17H,2-12H2,1H3
InChIKeySBDCRJFMZMKZHE-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.46
Rot. Bonds5

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

N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine (PubChem CID 79914136) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
PubChem CID79914136
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H29NOS/c1-2-8-17-15(13-4-3-5-13)14-6-9-18-16(11-14)7-10-19-12-16/h13-15,17H,2-12H2,1H3
InChIKeySBDCRJFMZMKZHE-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017704
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80626644
N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908697
N-[(3-methyloxolan-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017744
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[(2-methylcyclopropyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79911525
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79912064
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
2-methoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 116758127

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine (CID 79914136) is N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine is CCCNC(C1CCC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The InChIKey is SBDCRJFMZMKZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-2-8-17-15(13-4-3-5-13)14-6-9-18-16(11-14)7-10-19-12-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine is sourced from PubChem (CID 79914136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).