N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine

C15H28N2OS — CID 79901473

IUPACN-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C15H28N2OS/c1-16-10-13-3-2-6-17(11-13)14-4-7-18-15(9-14)5-8-19-12-15/h13-14,16H,2-12H2,1H3
InChIKeyAHUACIOUKDWXKG-UHFFFAOYSA-N
MW284.47 g/mol
LogP1.97
Rot. Bonds3

About N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine

N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine (PubChem CID 79901473) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
PubChem CID79901473
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C15H28N2OS/c1-16-10-13-3-2-6-17(11-13)14-4-7-18-15(9-14)5-8-19-12-15/h13-14,16H,2-12H2,1H3
InChIKeyAHUACIOUKDWXKG-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
CID 79920547
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol
CID 79920750
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902634
N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
CID 115307359
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-3-carboxylic acid
CID 79894442
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338580

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine (CID 79901473) is N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine is CNCC1CCCN(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The InChIKey is AHUACIOUKDWXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-16-10-13-3-2-6-17(11-13)14-4-7-18-15(9-14)5-8-19-12-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine has a molecular weight of 284.47 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 79901473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).