N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine

C9H19NO2S — CID 90064524

IUPACN-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
SMILESCCN(C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO2S/c1-4-10(8(2)3)9-5-6-13(11,12)7-9/h8-9H,4-7H2,1-3H3
InChIKeyNXOHYCDHBLUDDH-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.90
Rot. Bonds3

About N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine

N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine (PubChem CID 90064524) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
PubChem CID90064524
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
SMILESCCN(C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO2S/c1-4-10(8(2)3)9-5-6-13(11,12)7-9/h8-9H,4-7H2,1-3H3
InChIKeyNXOHYCDHBLUDDH-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The IUPAC name of N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine (CID 90064524) is N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine.
What is the SMILES notation for N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The canonical SMILES for N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine is CCN(C(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The InChIKey is NXOHYCDHBLUDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-10(8(2)3)9-5-6-13(11,12)7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine has a molecular weight of 205.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine is sourced from PubChem (CID 90064524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).