N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C14H23N3O2S2 — CID 63917159

IUPACN-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCS(=O)(=O)CC2)nc1C1CC1
InChIInChI=1S/C14H23N3O2S2/c1-2-5-15-10-12-13(11-3-4-11)16-14(20-12)17-6-8-21(18,19)9-7-17/h11,15H,2-10H2,1H3
InChIKeyMICJAUZHHZESOT-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.75
Rot. Bonds6

About N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 63917159) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID63917159
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC NameN-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCS(=O)(=O)CC2)nc1C1CC1
InChIInChI=1S/C14H23N3O2S2/c1-2-5-15-10-12-13(11-3-4-11)16-14(20-12)17-6-8-21(18,19)9-7-17/h11,15H,2-10H2,1H3
InChIKeyMICJAUZHHZESOT-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-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 N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 63917159) is N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCS(=O)(=O)CC2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is MICJAUZHHZESOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-2-5-15-10-12-13(11-3-4-11)16-14(20-12)17-6-8-21(18,19)9-7-17/h11,15H,2-10H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 329.49 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63917159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).