3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one

C12H23N3OS — CID 70822163

IUPAC3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one
SMILESCC1SC2(CCN(C)CC2)CN1C(=O)CCN
InChIInChI=1S/C12H23N3OS/c1-10-15(11(16)3-6-13)9-12(17-10)4-7-14(2)8-5-12/h10H,3-9,13H2,1-2H3
InChIKeyUJVJGFPVRMHMPJ-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.72
Rot. Bonds2

About 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one

3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one (PubChem CID 70822163) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one
PubChem CID70822163
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one
SMILESCC1SC2(CCN(C)CC2)CN1C(=O)CCN
InChIInChI=1S/C12H23N3OS/c1-10-15(11(16)3-6-13)9-12(17-10)4-7-14(2)8-5-12/h10H,3-9,13H2,1-2H3
InChIKeyUJVJGFPVRMHMPJ-UHFFFAOYSA-N
XLogP0.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one (CID 70822163) is 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one is CC1SC2(CCN(C)CC2)CN1C(=O)CCN.
What is the InChIKey of 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one?
The InChIKey is UJVJGFPVRMHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10-15(11(16)3-6-13)9-12(17-10)4-7-14(2)8-5-12/h10H,3-9,13H2,1-2H3.
What are the key properties of 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one?
3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one has a molecular weight of 257.40 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one is sourced from PubChem (CID 70822163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).