3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine

C12H20N2O2S2 — CID 79476066

IUPAC3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
SMILESCN(CCc1cccs1)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O2S2/c1-14(6-4-11-3-2-7-17-11)12(9-13)5-8-18(15,16)10-12/h2-3,7H,4-6,8-10,13H2,1H3
InChIKeyRBYIYVSUZMWEEL-UHFFFAOYSA-N
MW288.44 g/mol
LogP0.74
Rot. Bonds5

About 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine

3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine (PubChem CID 79476066) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
PubChem CID79476066
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
SMILESCN(CCc1cccs1)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C12H20N2O2S2/c1-14(6-4-11-3-2-7-17-11)12(9-13)5-8-18(15,16)10-12/h2-3,7H,4-6,8-10,13H2,1H3
InChIKeyRBYIYVSUZMWEEL-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine
CID 79476122
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-pyridin-4-ylethyl)thiolan-3-amine
CID 63162824
3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 79476289
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
3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 55160852
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 79927569
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine
CID 63924628
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 113483797
3-(aminomethyl)-N-methyl-N-(2-methylphenyl)-1,1-dioxothiolan-3-amine
CID 63162829
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,1-dioxothian-4-amine
CID 54984935

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine (CID 79476066) is 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine is CN(CCc1cccs1)C1(CN)CCS(=O)(=O)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine?
The InChIKey is RBYIYVSUZMWEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-14(6-4-11-3-2-7-17-11)12(9-13)5-8-18(15,16)10-12/h2-3,7H,4-6,8-10,13H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine?
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine is sourced from PubChem (CID 79476066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).