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

C12H24N2O2S — CID 43648685

IUPACN-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(C1CCS(=O)(=O)C1)C1(CN)CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-14(11-5-8-17(15,16)9-11)12(10-13)6-3-2-4-7-12/h11H,2-10,13H2,1H3
InChIKeyYOIWBRZJALKWMA-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.77
Rot. Bonds3

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

N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43648685) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID43648685
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(C1CCS(=O)(=O)C1)C1(CN)CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-14(11-5-8-17(15,16)9-11)12(10-13)6-3-2-4-7-12/h11H,2-10,13H2,1H3
InChIKeyYOIWBRZJALKWMA-UHFFFAOYSA-N
XLogP0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(aminomethyl)cyclohexyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 43648685) is N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(C1CCS(=O)(=O)C1)C1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is YOIWBRZJALKWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14(11-5-8-17(15,16)9-11)12(10-13)6-3-2-4-7-12/h11H,2-10,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43648685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).