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

C13H22N2O2S2 — CID 79476122

IUPAC3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine
SMILESCC(Cc1cccs1)N(C)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O2S2/c1-11(8-12-4-3-6-18-12)15(2)13(9-14)5-7-19(16,17)10-13/h3-4,6,11H,5,7-10,14H2,1-2H3
InChIKeyZFVXLPIYVBWXQP-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.13
Rot. Bonds5

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

3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine (PubChem CID 79476122) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine
PubChem CID79476122
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine
SMILESCC(Cc1cccs1)N(C)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O2S2/c1-11(8-12-4-3-6-18-12)15(2)13(9-14)5-7-19(16,17)10-13/h3-4,6,11H,5,7-10,14H2,1-2H3
InChIKeyZFVXLPIYVBWXQP-UHFFFAOYSA-N
XLogP1.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 79476066
1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 103563049
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine
CID 63924628
1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79475974
1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
3-(aminomethyl)-N-methyl-N-(2-methylphenyl)-1,1-dioxothiolan-3-amine
CID 63162829
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
3-(aminomethyl)-N-methyl-1,1-dioxo-N-propylthiolan-3-amine
CID 63163042

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine (CID 79476122) is 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine is CC(Cc1cccs1)N(C)C1(CN)CCS(=O)(=O)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine?
The InChIKey is ZFVXLPIYVBWXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-11(8-12-4-3-6-18-12)15(2)13(9-14)5-7-19(16,17)10-13/h3-4,6,11H,5,7-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine?
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine has a molecular weight of 302.46 g/mol, XLogP of 1.13, 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-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine is sourced from PubChem (CID 79476122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).