N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine

C15H30N2O2S — CID 60980818

IUPACN'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCS(=O)(=O)CC1)C1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-17(15-6-3-2-4-7-15)11-5-10-16-14-8-12-20(18,19)13-9-14/h14-16H,2-13H2,1H3
InChIKeyHIPGPBJHMCXCKM-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.81
Rot. Bonds6

About N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine (PubChem CID 60980818) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
PubChem CID60980818
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCS(=O)(=O)CC1)C1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-17(15-6-3-2-4-7-15)11-5-10-16-14-8-12-20(18,19)13-9-14/h14-16H,2-13H2,1H3
InChIKeyHIPGPBJHMCXCKM-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine 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-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine
CID 54981732
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 79834348
N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 63098109
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838
2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine (CID 60980818) is N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine is CN(CCCNC1CCS(=O)(=O)CC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is HIPGPBJHMCXCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-17(15-6-3-2-4-7-15)11-5-10-16-14-8-12-20(18,19)13-9-14/h14-16H,2-13H2,1H3.
What are the key properties of N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 302.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 60980818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).