3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine

C9H18N2O2S — CID 105473183

IUPAC3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine
SMILESNCC1(NC2CCC2)CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O2S/c10-6-9(11-8-2-1-3-8)4-5-14(12,13)7-9/h8,11H,1-7,10H2
InChIKeyUCWVIJAQPGWUED-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.36
Rot. Bonds3

About 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine

3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine (PubChem CID 105473183) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine
PubChem CID105473183
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine
SMILESNCC1(NC2CCC2)CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O2S/c10-6-9(11-8-2-1-3-8)4-5-14(12,13)7-9/h8,11H,1-7,10H2
InChIKeyUCWVIJAQPGWUED-UHFFFAOYSA-N
XLogP-0.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-cyclobutyl-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

8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679751
4-(aminomethyl)-N-cyclopentylthian-4-amine
CID 65383521
3-(aminomethyl)-N-cyclohexylpiperidin-3-amine
CID 105465481
4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid
CID 71756459
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
CID 65377567
1-(aminomethyl)-N-cyclopentyl-3,3-dimethylcyclopentan-1-amine
CID 80706363
N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]cyclopentanamine
CID 130847292
3-(aminomethyl)-1,1-dioxo-N-prop-2-enylthian-3-amine
CID 65382823
N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine
CID 83011946
1-(aminomethyl)-N-cyclopentyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 65386069

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine (CID 105473183) is 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine is NCC1(NC2CCC2)CCS(=O)(=O)C1.
What is the InChIKey of 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine?
The InChIKey is UCWVIJAQPGWUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-6-9(11-8-2-1-3-8)4-5-14(12,13)7-9/h8,11H,1-7,10H2.
What are the key properties of 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine?
3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine has a molecular weight of 218.32 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 105473183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).