N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C17H30N2OS — CID 79898827

IUPACN-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CC(CN(C2CC2)C2CCOC3(CCSC3)C2)CCN1
InChIInChI=1S/C17H30N2OS/c1-2-15(1)19(12-14-3-7-18-8-4-14)16-5-9-20-17(11-16)6-10-21-13-17/h14-16,18H,1-13H2
InChIKeyOMOSKZCAQWQNJD-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.51
Rot. Bonds4

About N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79898827) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79898827
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CC(CN(C2CC2)C2CCOC3(CCSC3)C2)CCN1
InChIInChI=1S/C17H30N2OS/c1-2-15(1)19(12-14-3-7-18-8-4-14)16-5-9-20-17(11-16)6-10-21-13-17/h14-16,18H,1-13H2
InChIKeyOMOSKZCAQWQNJD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-ethyl-2-methyl-N-(piperidin-4-ylmethyl)oxan-4-amine
CID 79715292
3-[cyclopropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanenitrile
CID 79903016
N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
CID 107173436
N'-cyclobutyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 102875329
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900011
1-N-ethyl-4-N-methyl-4-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexane-1,4-diamine
CID 79902820
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine
CID 79920471
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
2-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]ethanethioamide
CID 79901099
N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79899720

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79898827) is N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is C1CC(CN(C2CC2)C2CCOC3(CCSC3)C2)CCN1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is OMOSKZCAQWQNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-2-15(1)19(12-14-3-7-18-8-4-14)16-5-9-20-17(11-16)6-10-21-13-17/h14-16,18H,1-13H2.
What are the key properties of N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 310.51 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).