N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C13H21N3OS — CID 79895433

IUPACN-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESc1cn(CCNC2CCOC3(CCSC3)C2)cn1
InChIInChI=1S/C13H21N3OS/c1-7-17-13(2-8-18-10-13)9-12(1)15-4-6-16-5-3-14-11-16/h3,5,11-12,15H,1-2,4,6-10H2
InChIKeyCRCPHYMNQKIEGL-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.53
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79895433) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79895433
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESc1cn(CCNC2CCOC3(CCSC3)C2)cn1
InChIInChI=1S/C13H21N3OS/c1-7-17-13(2-8-18-10-13)9-12(1)15-4-6-16-5-3-14-11-16/h3,5,11-12,15H,1-2,4,6-10H2
InChIKeyCRCPHYMNQKIEGL-UHFFFAOYSA-N
XLogP1.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-(3-imidazol-1-ylpropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579257
N-[(1-methylpyrazol-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81455044
2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 83033681
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
1-(4-imidazol-1-ylbutyl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769676
N-[(3-methyl-4-pyridinyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114699889
2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
CID 106176597
N'-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106045761
N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895086
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
(5S,9S)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124890554

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79895433) is N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is c1cn(CCNC2CCOC3(CCSC3)C2)cn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is CRCPHYMNQKIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-7-17-13(2-8-18-10-13)9-12(1)15-4-6-16-5-3-14-11-16/h3,5,11-12,15H,1-2,4,6-10H2.
What are the key properties of N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 267.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).