N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine

C13H26N2O2S — CID 43648675

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCC1CCCCC1(CN)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O2S/c1-11-5-3-4-7-13(11,10-14)15(2)12-6-8-18(16,17)9-12/h11-12H,3-10,14H2,1-2H3
InChIKeyCLDOHHSIXJSRDI-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.01
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43648675) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID43648675
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCC1CCCCC1(CN)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O2S/c1-11-5-3-4-7-13(11,10-14)15(2)12-6-8-18(16,17)9-12/h11-12H,3-10,14H2,1-2H3
InChIKeyCLDOHHSIXJSRDI-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-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

Related Compounds

N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64762337
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648656
N-[1-(aminomethyl)-3-ethylcyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64501186
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
CID 63335117
4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylazepan-4-amine
CID 65078367
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 81168346
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107428952
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
CID 115452794
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,5,5-trimethylthian-3-amine
CID 79958421
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 55034622
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 43648675) is N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine is CC1CCCCC1(CN)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is CLDOHHSIXJSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11-5-3-4-7-13(11,10-14)15(2)12-6-8-18(16,17)9-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 274.43 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43648675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).