3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine

C11H22N2O2S — CID 63162457

IUPAC3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1CCC1)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S/c1-13(7-10-3-2-4-10)11(8-12)5-6-16(14,15)9-11/h10H,2-9,12H2,1H3
InChIKeyOMZIFKXUNMIHMM-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.23
Rot. Bonds4

About 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine

3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 63162457) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID63162457
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1CCC1)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S/c1-13(7-10-3-2-4-10)11(8-12)5-6-16(14,15)9-11/h10H,2-9,12H2,1H3
InChIKeyOMZIFKXUNMIHMM-UHFFFAOYSA-N
XLogP0.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1,1-dioxothiolan-3-amine
CID 63956770
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
CID 63162741
3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
CID 63163042
N'-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226175
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162872
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
CID 54983122
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888
N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
CID 82734241

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 63162457) is 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine is CN(CC1CCC1)C1(CN)CCS(=O)(=O)C1.
What is the InChIKey of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is OMZIFKXUNMIHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-13(7-10-3-2-4-10)11(8-12)5-6-16(14,15)9-11/h10H,2-9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine?
3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 246.38 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63162457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).