N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C15H27N3OS — CID 103967625

IUPACN-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCCN1CCOCC1)SC2
InChIInChI=1S/C15H27N3OS/c1-2-4-15(5-3-1)12-17-14(20-13-15)16-6-7-18-8-10-19-11-9-18/h1-13H2,(H,16,17)
InChIKeyUMYZAPSAEVPHAK-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.96
Rot. Bonds3

About N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967625) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967625
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCCN1CCOCC1)SC2
InChIInChI=1S/C15H27N3OS/c1-2-4-15(5-3-1)12-17-14(20-13-15)16-6-7-18-8-10-19-11-9-18/h1-13H2,(H,16,17)
InChIKeyUMYZAPSAEVPHAK-UHFFFAOYSA-N
XLogP1.96
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine
CID 113359783
5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 114164083
N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361756
N-[(1-ethylpyrrolidin-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361289
N-(2-morpholin-4-ylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284887
5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294282
N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967585
N-[(4-methyl-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114956901
5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 153298189
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967525
5-N-(2-morpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363693

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967625) is N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC2(CC1)CN=C(NCCN1CCOCC1)SC2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is UMYZAPSAEVPHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-2-4-15(5-3-1)12-17-14(20-13-15)16-6-7-18-8-10-19-11-9-18/h1-13H2,(H,16,17).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 297.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).