(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine

C8H17NO2S — CID 167913931

IUPAC(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
SMILESCC(C)N[C@@H]1CCS(=O)(=O)[C@@H]1C
InChIInChI=1S/C8H17NO2S/c1-6(2)9-8-4-5-12(10,11)7(8)3/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyZIGPNBPMROZNLE-HTQZYQBOSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds2

About (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine

(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine (PubChem CID 167913931) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
PubChem CID167913931
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
SMILESCC(C)N[C@@H]1CCS(=O)(=O)[C@@H]1C
InChIInChI=1S/C8H17NO2S/c1-6(2)9-8-4-5-12(10,11)7(8)3/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyZIGPNBPMROZNLE-HTQZYQBOSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-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 (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine (CID 167913931) is (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine is CC(C)N[C@@H]1CCS(=O)(=O)[C@@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
The InChIKey is ZIGPNBPMROZNLE-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)9-8-4-5-12(10,11)7(8)3/h6-9H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine?
(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine is sourced from PubChem (CID 167913931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).