N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

C15H28N2OS — CID 79897871

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCN1CCCC1CNC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H28N2OS/c1-2-17-7-3-4-14(17)11-16-13-5-8-18-15(10-13)6-9-19-12-15/h13-14,16H,2-12H2,1H3
InChIKeyOHKOPPPPVBJTBI-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.12
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79897871) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79897871
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCCN1CCCC1CNC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H28N2OS/c1-2-17-7-3-4-14(17)11-16-13-5-8-18-15(10-13)6-9-19-12-15/h13-14,16H,2-12H2,1H3
InChIKeyOHKOPPPPVBJTBI-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 93218125
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902634
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-propylpiperidin-4-amine
CID 79895232
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
CID 79903904
N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114399861
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903949
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79897871) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is CCN1CCCC1CNC1CCOC2(CCSC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is OHKOPPPPVBJTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-2-17-7-3-4-14(17)11-16-13-5-8-18-15(10-13)6-9-19-12-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 284.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).