N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine

C12H24N2O2S — CID 55074621

IUPACN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-11(3-2-6-13-12-4-5-12)14-7-9-17(15,16)10-8-14/h11-13H,2-10H2,1H3
InChIKeyRJAGPTPOOMUBQF-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds6

About N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine

N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine (PubChem CID 55074621) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine
PubChem CID55074621
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-11(3-2-6-13-12-4-5-12)14-7-9-17(15,16)10-8-14/h11-13H,2-10H2,1H3
InChIKeyRJAGPTPOOMUBQF-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine 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-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine (CID 55074621) is N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine is CC(CCCNC1CC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine?
The InChIKey is RJAGPTPOOMUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11(3-2-6-13-12-4-5-12)14-7-9-17(15,16)10-8-14/h11-13H,2-10H2,1H3.
What are the key properties of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine?
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 55074621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).