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

C14H23N3OS — CID 79894810

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCn1ccnc1CCNC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H23N3OS/c1-17-7-6-16-13(17)2-5-15-12-3-8-18-14(10-12)4-9-19-11-14/h6-7,12,15H,2-5,8-11H2,1H3
InChIKeySFFJKBLYULOTKH-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.61
Rot. Bonds4

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

N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79894810) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79894810
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCn1ccnc1CCNC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H23N3OS/c1-17-7-6-16-13(17)2-5-15-12-3-8-18-14(10-12)4-9-19-11-14/h6-7,12,15H,2-5,8-11H2,1H3
InChIKeySFFJKBLYULOTKH-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine
CID 114527733
N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895433
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole
CID 79920205
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
N-[(3-methyl-4-pyridinyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114699889
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
(5R,9R)-N-[(3-methoxy-4-methylphenyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124627329
7-fluoro-N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]quinoxaline-6-carboxamide
CID 125140074
N'-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106045761

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79894810) is N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is Cn1ccnc1CCNC1CCOC2(CCSC2)C1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is SFFJKBLYULOTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-17-7-6-16-13(17)2-5-15-12-3-8-18-14(10-12)4-9-19-11-14/h6-7,12,15H,2-5,8-11H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 281.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79894810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).