(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine

C14H25NO2S — CID 128860817

IUPAC(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
SMILESC[C@H]1CS(=O)(=O)C[C@H]1NC1CC2(CCCCC2)C1
InChIInChI=1S/C14H25NO2S/c1-11-9-18(16,17)10-13(11)15-12-7-14(8-12)5-3-2-4-6-14/h11-13,15H,2-10H2,1H3/t11-,13+/m0/s1
InChIKeyGPEJYKVBPFDENQ-WCQYABFASA-N
MW271.43 g/mol
LogP2.12
Rot. Bonds2

About (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine

(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine (PubChem CID 128860817) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
PubChem CID128860817
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
SMILESC[C@H]1CS(=O)(=O)C[C@H]1NC1CC2(CCCCC2)C1
InChIInChI=1S/C14H25NO2S/c1-11-9-18(16,17)10-13(11)15-12-7-14(8-12)5-3-2-4-6-14/h11-13,15H,2-10H2,1H3/t11-,13+/m0/s1
InChIKeyGPEJYKVBPFDENQ-WCQYABFASA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine?
The IUPAC name of (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine (CID 128860817) is (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine.
What is the SMILES notation for (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine?
The canonical SMILES for (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine is C[C@H]1CS(=O)(=O)C[C@H]1NC1CC2(CCCCC2)C1.
What is the InChIKey of (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine?
The InChIKey is GPEJYKVBPFDENQ-WCQYABFASA-N. The full InChI is InChI=1S/C14H25NO2S/c1-11-9-18(16,17)10-13(11)15-12-7-14(8-12)5-3-2-4-6-14/h11-13,15H,2-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine?
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine has a molecular weight of 271.43 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine is sourced from PubChem (CID 128860817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).