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

C15H28N2OS — CID 114961459

IUPAC[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
SMILESCC1CCN(C2CCOC3(CCSC3)C2)CC1CN
InChIInChI=1S/C15H28N2OS/c1-12-2-5-17(10-13(12)9-16)14-3-6-18-15(8-14)4-7-19-11-15/h12-14H,2-11,16H2,1H3
InChIKeyOXGMOUMESFNMQR-UHFFFAOYSA-N
MW284.47 g/mol
LogP1.96
Rot. Bonds2

About [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine

[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine (PubChem CID 114961459) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
PubChem CID114961459
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
SMILESCC1CCN(C2CCOC3(CCSC3)C2)CC1CN
InChIInChI=1S/C15H28N2OS/c1-12-2-5-17(10-13(12)9-16)14-3-6-18-15(8-14)4-7-19-11-15/h12-14H,2-11,16H2,1H3
InChIKeyOXGMOUMESFNMQR-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
CID 79920547
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine
CID 116640553
N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
CID 115307359
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
[6-methyl-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)morpholin-2-yl]methanamine
CID 102938976
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol
CID 82691820
[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine
CID 114960162
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902634
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid
CID 106744745
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-3-carboxylic acid
CID 79894442

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine (CID 114961459) is [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine is CC1CCN(C2CCOC3(CCSC3)C2)CC1CN.
What is the InChIKey of [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The InChIKey is OXGMOUMESFNMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-12-2-5-17(10-13(12)9-16)14-3-6-18-15(8-14)4-7-19-11-15/h12-14H,2-11,16H2,1H3.
What are the key properties of [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
[4-methyl-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 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114961459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).