1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H25N3S — CID 79497521

IUPAC1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCSCC2)N1C1CCCCCC1
InChIInChI=1S/C14H25N3S/c15-13-16-11-14(7-9-18-10-8-14)17(13)12-5-3-1-2-4-6-12/h12H,1-11H2,(H2,15,16)
InChIKeyQWNDKCOUHWJYSF-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.61
Rot. Bonds1

About 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497521) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497521
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCSCC2)N1C1CCCCCC1
InChIInChI=1S/C14H25N3S/c15-13-16-11-14(7-9-18-10-8-14)17(13)12-5-3-1-2-4-6-12/h12H,1-11H2,(H2,15,16)
InChIKeyQWNDKCOUHWJYSF-UHFFFAOYSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497521) is 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCSCC2)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is QWNDKCOUHWJYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c15-13-16-11-14(7-9-18-10-8-14)17(13)12-5-3-1-2-4-6-12/h12H,1-11H2,(H2,15,16).
What are the key properties of 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).