3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide

C11H22N2O2S — CID 82948415

IUPAC3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide
SMILESCOCCN(C(=O)C(C)(C)C(N)=S)C(C)C
InChIInChI=1S/C11H22N2O2S/c1-8(2)13(6-7-15-5)10(14)11(3,4)9(12)16/h8H,6-7H2,1-5H3,(H2,12,16)
InChIKeyXEHBTSXGLKDXGD-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.18
Rot. Bonds6

About 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide

3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide (PubChem CID 82948415) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide
PubChem CID82948415
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide
SMILESCOCCN(C(=O)C(C)(C)C(N)=S)C(C)C
InChIInChI=1S/C11H22N2O2S/c1-8(2)13(6-7-15-5)10(14)11(3,4)9(12)16/h8H,6-7H2,1-5H3,(H2,12,16)
InChIKeyXEHBTSXGLKDXGD-UHFFFAOYSA-N
XLogP1.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 82948013
2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide
CID 107472614
3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 76921320
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115
2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114292133
2-methoxyethyl(propan-2-yl)carbamodithioic acid
CID 87357672
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide
CID 65249083
2-(ethylamino)-4-[2-methoxyethyl(propan-2-yl)amino]-2-methylbutanamide
CID 82959553
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide (CID 82948415) is 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide is COCCN(C(=O)C(C)(C)C(N)=S)C(C)C.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide?
The InChIKey is XEHBTSXGLKDXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8(2)13(6-7-15-5)10(14)11(3,4)9(12)16/h8H,6-7H2,1-5H3,(H2,12,16).
What are the key properties of 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide?
3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide has a molecular weight of 246.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide is sourced from PubChem (CID 82948415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).