N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C16H30N2O2S — CID 114399861

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCCN1CCOC(CNC2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H30N2O2S/c1-2-18-6-8-19-15(13-18)12-17-14-3-7-20-16(11-14)4-9-21-10-5-16/h14-15,17H,2-13H2,1H3
InChIKeyMNRSSMJGZQYYRT-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.74
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 114399861) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID114399861
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCCN1CCOC(CNC2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H30N2O2S/c1-2-18-6-8-19-15(13-18)12-17-14-3-7-20-16(11-14)4-9-21-10-5-16/h14-15,17H,2-13H2,1H3
InChIKeyMNRSSMJGZQYYRT-UHFFFAOYSA-N
XLogP1.74
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-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

N-[(4-methylmorpholin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903156
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 79165540
1-[4-[(4-ethylmorpholin-2-yl)methylamino]piperidin-1-yl]ethanone
CID 115616612
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880
3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
CID 106129756
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 115653587
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931828
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxycyclopentan-1-amine
CID 114117973
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79165323

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 114399861) is N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is CCN1CCOC(CNC2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is MNRSSMJGZQYYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-2-18-6-8-19-15(13-18)12-17-14-3-7-20-16(11-14)4-9-21-10-5-16/h14-15,17H,2-13H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 314.50 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 114399861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).