2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine

C14H29NO3S — CID 55083940

IUPAC2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
SMILESCC(C)NCC(CCOC(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H29NO3S/c1-11(2)15-9-13(5-7-18-12(3)4)14-6-8-19(16,17)10-14/h11-15H,5-10H2,1-4H3
InChIKeyASBGKHDUYKBYFX-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.85
Rot. Bonds8

About 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine

2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine (PubChem CID 55083940) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
PubChem CID55083940
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
SMILESCC(C)NCC(CCOC(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H29NO3S/c1-11(2)15-9-13(5-7-18-12(3)4)14-6-8-19(16,17)10-14/h11-15H,5-10H2,1-4H3
InChIKeyASBGKHDUYKBYFX-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine (CID 55083940) is 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine is CC(C)NCC(CCOC(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine?
The InChIKey is ASBGKHDUYKBYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-11(2)15-9-13(5-7-18-12(3)4)14-6-8-19(16,17)10-14/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine?
2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 55083940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).