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

C17H31NOS — CID 81033535

IUPACN-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H31NOS/c1-2-8-18-12-15-4-3-5-16(15)14-6-9-19-17(11-14)7-10-20-13-17/h14-16,18H,2-13H2,1H3
InChIKeyKVZHOHCNDSTJCI-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.70
Rot. Bonds5

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

N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine (PubChem CID 81033535) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
PubChem CID81033535
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC NameN-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H31NOS/c1-2-8-18-12-15-4-3-5-16(15)14-6-9-19-17(11-14)7-10-20-13-17/h14-16,18H,2-13H2,1H3
InChIKeyKVZHOHCNDSTJCI-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79922469
N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
CID 81033857
N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017704
N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine
CID 81028730
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79923979
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine (CID 81033535) is N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1C1CCOC2(CCSC2)C1.
What is the InChIKey of N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is KVZHOHCNDSTJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOS/c1-2-8-18-12-15-4-3-5-16(15)14-6-9-19-17(11-14)7-10-20-13-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 297.51 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-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81033535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).