1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine

C10H19NO2S — CID 155487558

IUPAC1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
SMILESCC(C)C1(CNC2CS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S/c1-8(2)10(3-4-10)7-11-9-5-14(12,13)6-9/h8-9,11H,3-7H2,1-2H3
InChIKeyIEBGVAQZHJXALQ-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.81
Rot. Bonds4

About 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine

1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine (PubChem CID 155487558) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
PubChem CID155487558
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
SMILESCC(C)C1(CNC2CS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S/c1-8(2)10(3-4-10)7-11-9-5-14(12,13)6-9/h8-9,11H,3-7H2,1-2H3
InChIKeyIEBGVAQZHJXALQ-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine?
The IUPAC name of 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine (CID 155487558) is 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine is CC(C)C1(CNC2CS(=O)(=O)C2)CC1.
What is the InChIKey of 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine?
The InChIKey is IEBGVAQZHJXALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)10(3-4-10)7-11-9-5-14(12,13)6-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine?
1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine is sourced from PubChem (CID 155487558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).