N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

C14H24N2O2S2 — CID 80727798

IUPACN-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCNCc1cc(CN(C)C2CCS(=O)(=O)C2)c(C)s1
InChIInChI=1S/C14H24N2O2S2/c1-4-15-8-14-7-12(11(2)19-14)9-16(3)13-5-6-20(17,18)10-13/h7,13,15H,4-6,8-10H2,1-3H3
InChIKeyPKGQWYYDBQWDHI-UHFFFAOYSA-N
MW316.49 g/mol
LogP1.78
Rot. Bonds6

About N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 80727798) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID80727798
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCNCc1cc(CN(C)C2CCS(=O)(=O)C2)c(C)s1
InChIInChI=1S/C14H24N2O2S2/c1-4-15-8-14-7-12(11(2)19-14)9-16(3)13-5-6-20(17,18)10-13/h7,13,15H,4-6,8-10H2,1-3H3
InChIKeyPKGQWYYDBQWDHI-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728608
N-[(5-amino-2-methylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 82134181
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine
CID 80728295
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 62427777
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
CID 80727932
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-methoxyphenol
CID 82981858
5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylpyrimidin-2-amine
CID 77085463
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 102769896
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]furan-2-carbohydrazide
CID 63573141
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 62428497
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55073902
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458448

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 80727798) is N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is CCNCc1cc(CN(C)C2CCS(=O)(=O)C2)c(C)s1.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is PKGQWYYDBQWDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-15-8-14-7-12(11(2)19-14)9-16(3)13-5-6-20(17,18)10-13/h7,13,15H,4-6,8-10H2,1-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 316.49 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 80727798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).