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

C16H29N3OS — CID 103967664

IUPACN-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCCCN1CCOCC1)SC2
InChIInChI=1S/C16H29N3OS/c1-2-5-16(6-3-1)13-18-15(21-14-16)17-7-4-8-19-9-11-20-12-10-19/h1-14H2,(H,17,18)
InChIKeyCHVPQCWMTKKNPL-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.35
Rot. Bonds4

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

N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967664) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967664
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCCCN1CCOCC1)SC2
InChIInChI=1S/C16H29N3OS/c1-2-5-16(6-3-1)13-18-15(21-14-16)17-7-4-8-19-9-11-20-12-10-19/h1-14H2,(H,17,18)
InChIKeyCHVPQCWMTKKNPL-UHFFFAOYSA-N
XLogP2.35
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967708
N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967748
N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967784
N-[2-(3-methylbutoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967817
N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967818
N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
CID 103967864
N-(oxan-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967891
N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967963
N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 104763254
N-(1-ethoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105801168

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967664) is N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC2(CC1)CN=C(NCCCN1CCOCC1)SC2.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is CHVPQCWMTKKNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-2-5-16(6-3-1)13-18-15(21-14-16)17-7-4-8-19-9-11-20-12-10-19/h1-14H2,(H,17,18).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 311.50 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).