N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine

C12H26N2O2S — CID 62568280

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-4-5-6-13-11-12(2)14-7-9-17(15,16)10-8-14/h12-13H,3-11H2,1-2H3
InChIKeyORBVRWQRHUDQLN-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.89
Rot. Bonds7

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine (PubChem CID 62568280) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
PubChem CID62568280
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-4-5-6-13-11-12(2)14-7-9-17(15,16)10-8-14/h12-13H,3-11H2,1-2H3
InChIKeyORBVRWQRHUDQLN-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-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

Related Compounds

N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine
CID 62433248
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propylbutan-1-amine
CID 62432349
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)propyl]pentan-1-amine
CID 107459676
N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)propyl]butan-2-amine
CID 114083784
3-(1,1-dioxo-1,4-thiazepan-4-yl)-N-propylbutan-1-amine
CID 114083772
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
CID 67486995
N-[2-(4,4-dimethylazepan-1-yl)propyl]butan-1-amine
CID 65287018
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
CID 66369464
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 104550741

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine (CID 62568280) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine is CCCCCNCC(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine?
The InChIKey is ORBVRWQRHUDQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-4-5-6-13-11-12(2)14-7-9-17(15,16)10-8-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine is sourced from PubChem (CID 62568280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).