N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine

C12H19NO2S2 — CID 80526202

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
SMILESCC(C)(CNC1CCS(=O)(=O)C1)c1cccs1
InChIInChI=1S/C12H19NO2S2/c1-12(2,11-4-3-6-16-11)9-13-10-5-7-17(14,15)8-10/h3-4,6,10,13H,5,7-9H2,1-2H3
InChIKeyKUGILOKFEZFMMN-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.80
Rot. Bonds4

About N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine (PubChem CID 80526202) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
PubChem CID80526202
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
SMILESCC(C)(CNC1CCS(=O)(=O)C1)c1cccs1
InChIInChI=1S/C12H19NO2S2/c1-12(2,11-4-3-6-16-11)9-13-10-5-7-17(14,15)8-10/h3-4,6,10,13H,5,7-9H2,1-2H3
InChIKeyKUGILOKFEZFMMN-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
CID 80526251
3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526151
1,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 81344411
3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427
2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80526208

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine (CID 80526202) is N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine is CC(C)(CNC1CCS(=O)(=O)C1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine?
The InChIKey is KUGILOKFEZFMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-12(2,11-4-3-6-16-11)9-13-10-5-7-17(14,15)8-10/h3-4,6,10,13H,5,7-9H2,1-2H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 80526202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).