N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C14H24N2O2S — CID 136730406

IUPACN-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESC(C/N=C1/NC2(CCOCC2)CS1)COCC1CC1
InChIInChI=1S/C14H24N2O2S/c1(7-18-10-12-2-3-12)6-15-13-16-14(11-19-13)4-8-17-9-5-14/h12H,1-11H2,(H,15,16)
InChIKeyVGHYTVRSIPLNNC-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.04
Rot. Bonds6

About N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136730406) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136730406
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESC(C/N=C1/NC2(CCOCC2)CS1)COCC1CC1
InChIInChI=1S/C14H24N2O2S/c1(7-18-10-12-2-3-12)6-15-13-16-14(11-19-13)4-8-17-9-5-14/h12H,1-11H2,(H,15,16)
InChIKeyVGHYTVRSIPLNNC-UHFFFAOYSA-N
XLogP2.04
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136730406) is N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is C(C/N=C1/NC2(CCOCC2)CS1)COCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is VGHYTVRSIPLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1(7-18-10-12-2-3-12)6-15-13-16-14(11-19-13)4-8-17-9-5-14/h12H,1-11H2,(H,15,16).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 284.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136730406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).