2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide

C9H20N2O2S2 — CID 106724838

IUPAC2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
SMILESCCN(CCS(=O)(=O)C(C)C)CC(N)=S
InChIInChI=1S/C9H20N2O2S2/c1-4-11(7-9(10)14)5-6-15(12,13)8(2)3/h8H,4-7H2,1-3H3,(H2,10,14)
InChIKeyZKTMPEYHXUPIHG-UHFFFAOYSA-N
MW252.40 g/mol
LogP0.42
Rot. Bonds7

About 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide

2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide (PubChem CID 106724838) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
PubChem CID106724838
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC Name2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
SMILESCCN(CCS(=O)(=O)C(C)C)CC(N)=S
InChIInChI=1S/C9H20N2O2S2/c1-4-11(7-9(10)14)5-6-15(12,13)8(2)3/h8H,4-7H2,1-3H3,(H2,10,14)
InChIKeyZKTMPEYHXUPIHG-UHFFFAOYSA-N
XLogP0.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670
2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
CID 106452819
4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725897
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
CID 103734576
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104519374
2-[ethyl(2-propoxyethyl)amino]ethanethioamide
CID 106452820
2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid
CID 106727614
N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
CID 106725354
2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide
CID 63775676
2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 106722764
3-[methyl(2-propylsulfonylethyl)amino]butanethioamide
CID 106724853
1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
CID 106723563

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide?
The IUPAC name of 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide (CID 106724838) is 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide?
The canonical SMILES for 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide is CCN(CCS(=O)(=O)C(C)C)CC(N)=S.
What is the InChIKey of 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide?
The InChIKey is ZKTMPEYHXUPIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-4-11(7-9(10)14)5-6-15(12,13)8(2)3/h8H,4-7H2,1-3H3,(H2,10,14).
What are the key properties of 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide?
2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide has a molecular weight of 252.40 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide is sourced from PubChem (CID 106724838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).