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

C13H22N2O2S2 — CID 63924628

IUPAC3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine
SMILESCC(c1cccs1)N(C)C1(CN)CCCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O2S2/c1-11(12-5-3-7-18-12)15(2)13(9-14)6-4-8-19(16,17)10-13/h3,5,7,11H,4,6,8-10,14H2,1-2H3
InChIKeyYEXJRPCIHHELHZ-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.65
Rot. Bonds4

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

3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine (PubChem CID 63924628) 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-ylethyl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine
PubChem CID63924628
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine
SMILESCC(c1cccs1)N(C)C1(CN)CCCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O2S2/c1-11(12-5-3-7-18-12)15(2)13(9-14)6-4-8-19(16,17)10-13/h3,5,7,11H,4,6,8-10,14H2,1-2H3
InChIKeyYEXJRPCIHHELHZ-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine
CID 65079163
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine
CID 79476122
3-(aminomethyl)-N-(2-methylpropyl)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 63922258
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 79476066
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,1-dioxothian-3-amine
CID 63922457
2-(1-aminocyclohexyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64678950
3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,1-dioxothian-3-amine
CID 63922458
3-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,1-dioxothian-3-amine
CID 63924429
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 105417448
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
CID 62977913
4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
CID 62979316
3-(aminomethyl)-N-methyl-N-(2-methylphenyl)-1,1-dioxothiolan-3-amine
CID 63162829

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine (CID 63924628) is 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine is CC(c1cccs1)N(C)C1(CN)CCCS(=O)(=O)C1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine?
The InChIKey is YEXJRPCIHHELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-11(12-5-3-7-18-12)15(2)13(9-14)6-4-8-19(16,17)10-13/h3,5,7,11H,4,6,8-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine?
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylethyl)thian-3-amine has a molecular weight of 302.46 g/mol, XLogP of 1.65, 4 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-ylethyl)thian-3-amine is sourced from PubChem (CID 63924628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).