3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide

C8H14N2O2S — CID 82738625

IUPAC3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
SMILESCN(C(=O)CC(N)=S)C1CCOC1
InChIInChI=1S/C8H14N2O2S/c1-10(6-2-3-12-5-6)8(11)4-7(9)13/h6H,2-5H2,1H3,(H2,9,13)
InChIKeyMMKGGEKSOOITMR-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.09
Rot. Bonds3

About 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide

3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide (PubChem CID 82738625) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
PubChem CID82738625
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
SMILESCN(C(=O)CC(N)=S)C1CCOC1
InChIInChI=1S/C8H14N2O2S/c1-10(6-2-3-12-5-6)8(11)4-7(9)13/h6H,2-5H2,1H3,(H2,9,13)
InChIKeyMMKGGEKSOOITMR-UHFFFAOYSA-N
XLogP-0.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.09
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

3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
4-carbamothioyl-N-methyl-N-(oxolan-3-yl)oxane-4-carboxamide
CID 82737877
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82737626
4-amino-N,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 81489962
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
2-(2-hydroxyphenyl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 80717573
N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
CID 82737943
1-methyl-1-(oxan-4-yl)thiourea
CID 43610988
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 81489412
6-amino-N,4-dimethyl-N-(oxolan-3-yl)hexanamide
CID 82738778
3-(2-aminophenoxy)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740805

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide (CID 82738625) is 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide is CN(C(=O)CC(N)=S)C1CCOC1.
What is the InChIKey of 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide?
The InChIKey is MMKGGEKSOOITMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10(6-2-3-12-5-6)8(11)4-7(9)13/h6H,2-5H2,1H3,(H2,9,13).
What are the key properties of 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide?
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide has a molecular weight of 202.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 82738625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).