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

C16H26N2S — CID 103967744

IUPACN-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NC(C1CC1)C1CC1)SC2
InChIInChI=1S/C16H26N2S/c1-2-8-16(9-3-1)10-17-15(19-11-16)18-14(12-4-5-12)13-6-7-13/h12-14H,1-11H2,(H,17,18)
InChIKeyXLQJAZOOGDVLKA-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.82
Rot. Bonds3

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

N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967744) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967744
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NC(C1CC1)C1CC1)SC2
InChIInChI=1S/C16H26N2S/c1-2-8-16(9-3-1)10-17-15(19-11-16)18-14(12-4-5-12)13-6-7-13/h12-14H,1-11H2,(H,17,18)
InChIKeyXLQJAZOOGDVLKA-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967744) is N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC2(CC1)CN=C(NC(C1CC1)C1CC1)SC2.
What is the InChIKey of N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is XLQJAZOOGDVLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-8-16(9-3-1)10-17-15(19-11-16)18-14(12-4-5-12)13-6-7-13/h12-14H,1-11H2,(H,17,18).
What are the key properties of N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 278.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).