N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine

C14H26N2OS — CID 113281993

IUPACN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
SMILESCNC1CCN(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C14H26N2OS/c1-15-12-2-6-16(11-12)13-3-7-17-14(10-13)4-8-18-9-5-14/h12-13,15H,2-11H2,1H3
InChIKeyOVTCDWKURJSEMV-UHFFFAOYSA-N
MW270.44 g/mol
LogP1.72
Rot. Bonds2

About N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine

N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine (PubChem CID 113281993) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
PubChem CID113281993
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
SMILESCNC1CCN(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C14H26N2OS/c1-15-12-2-6-16(11-12)13-3-7-17-14(10-13)4-8-18-9-5-14/h12-13,15H,2-11H2,1H3
InChIKeyOVTCDWKURJSEMV-UHFFFAOYSA-N
XLogP1.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol
CID 79920750
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
CID 115307359
[6-methyl-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)morpholin-2-yl]methanamine
CID 102938976
(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
CID 79920363

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine (CID 113281993) is N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine is CNC1CCN(C2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine?
The InChIKey is OVTCDWKURJSEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-15-12-2-6-16(11-12)13-3-7-17-14(10-13)4-8-18-9-5-14/h12-13,15H,2-11H2,1H3.
What are the key properties of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine?
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine has a molecular weight of 270.44 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 113281993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).