N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C14H26N2OS — CID 103967920

IUPACN-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCC(COC)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-3-12(9-17-2)16-13-15-10-14(11-18-13)7-5-4-6-8-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyFVXICUNNTDEPEQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds4

About N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967920) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967920
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCC(COC)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-3-12(9-17-2)16-13-15-10-14(11-18-13)7-5-4-6-8-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyFVXICUNNTDEPEQ-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967920) is N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CCC(COC)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is FVXICUNNTDEPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-12(9-17-2)16-13-15-10-14(11-18-13)7-5-4-6-8-14/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).