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

C14H24N2OS — CID 103967860

IUPACN-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCC1CCOC1)SC2
InChIInChI=1S/C14H24N2OS/c1-2-5-14(6-3-1)10-16-13(18-11-14)15-8-12-4-7-17-9-12/h12H,1-11H2,(H,15,16)
InChIKeyLRMCDAFYZFDNEG-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.67
Rot. Bonds2

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

N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967860) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967860
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCC1CCOC1)SC2
InChIInChI=1S/C14H24N2OS/c1-2-5-14(6-3-1)10-16-13(18-11-14)15-8-12-4-7-17-9-12/h12H,1-11H2,(H,15,16)
InChIKeyLRMCDAFYZFDNEG-UHFFFAOYSA-N
XLogP2.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967860) is N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC2(CC1)CN=C(NCC1CCOC1)SC2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is LRMCDAFYZFDNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-5-14(6-3-1)10-16-13(18-11-14)15-8-12-4-7-17-9-12/h12H,1-11H2,(H,15,16).
What are the key properties of N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 268.43 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).