N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide

C12H22N2O3S — CID 61288394

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
SMILESCN(CCC(N)=S)C(=O)CCOC1CCOCC1
InChIInChI=1S/C12H22N2O3S/c1-14(6-2-11(13)18)12(15)5-9-17-10-3-7-16-8-4-10/h10H,2-9H2,1H3,(H2,13,18)
InChIKeyNDDBBANAUGOQBG-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.71
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide (PubChem CID 61288394) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
PubChem CID61288394
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
SMILESCN(CCC(N)=S)C(=O)CCOC1CCOCC1
InChIInChI=1S/C12H22N2O3S/c1-14(6-2-11(13)18)12(15)5-9-17-10-3-7-16-8-4-10/h10H,2-9H2,1H3,(H2,13,18)
InChIKeyNDDBBANAUGOQBG-UHFFFAOYSA-N
XLogP0.71
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.71
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

N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 119659339
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide
CID 43291123
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82737626
N-(3-amino-3-sulfanylidenepropyl)-3-(4-ethoxypiperidin-1-yl)-N-methylpropanamide
CID 61220713
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide
CID 63712907
3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
CID 120520092
N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide
CID 75494892
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43291188
N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
CID 106201796
3-cyclohexyloxy-N-ethyl-N-methylpropanamide
CID 67009773

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide (CID 61288394) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide is CN(CCC(N)=S)C(=O)CCOC1CCOCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide?
The InChIKey is NDDBBANAUGOQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-14(6-2-11(13)18)12(15)5-9-17-10-3-7-16-8-4-10/h10H,2-9H2,1H3,(H2,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide has a molecular weight of 274.39 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 61288394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).