N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine

C17H32N2OS — CID 79906952

IUPACN,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(C1CCOC2(CCSC2)C1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H32N2OS/c1-16(2,19-8-4-5-9-19)15(18-3)14-6-10-20-17(12-14)7-11-21-13-17/h14-15,18H,4-13H2,1-3H3
InChIKeyTZRXCGUVGLYQOR-UHFFFAOYSA-N
MW312.52 g/mol
LogP2.75
Rot. Bonds4

About N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine

N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79906952) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79906952
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC NameN,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(C1CCOC2(CCSC2)C1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H32N2OS/c1-16(2,19-8-4-5-9-19)15(18-3)14-6-10-20-17(12-14)7-11-21-13-17/h14-15,18H,4-13H2,1-3H3
InChIKeyTZRXCGUVGLYQOR-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-morpholin-4-yl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79906960
2-methoxy-N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79911973
N-methyl-1-(5-methyloxolan-2-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017661
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79910778
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289
2-methoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 116758127
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79906947
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine (CID 79906952) is N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine is CNC(C1CCOC2(CCSC2)C1)C(C)(C)N1CCCC1.
What is the InChIKey of N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is TZRXCGUVGLYQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-16(2,19-8-4-5-9-19)15(18-3)14-6-10-20-17(12-14)7-11-21-13-17/h14-15,18H,4-13H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine?
N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 312.52 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79906952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).