N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide

C11H19N3O3S — CID 63707704

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide
SMILESCN(CC1CCCOC1)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H19N3O3S/c1-14(6-8-3-2-4-17-7-8)11(16)10(15)13-5-9(12)18/h8H,2-7H2,1H3,(H2,12,18)(H,13,15)
InChIKeyNQJMJBFUVVPPDU-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.73
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide (PubChem CID 63707704) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide
PubChem CID63707704
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide
SMILESCN(CC1CCCOC1)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H19N3O3S/c1-14(6-8-3-2-4-17-7-8)11(16)10(15)13-5-9(12)18/h8H,2-7H2,1H3,(H2,12,18)(H,13,15)
InChIKeyNQJMJBFUVVPPDU-UHFFFAOYSA-N
XLogP-0.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide
CID 63712907
2-carbamothioyl-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 113270652
N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide
CID 62825062
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-(cyclopentylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63712361
2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 78949570
1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea
CID 129345044
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
CID 43316466
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine
CID 104882236

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide (CID 63707704) is N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide is CN(CC1CCCOC1)C(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide?
The InChIKey is NQJMJBFUVVPPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14(6-8-3-2-4-17-7-8)11(16)10(15)13-5-9(12)18/h8H,2-7H2,1H3,(H2,12,18)(H,13,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide has a molecular weight of 273.36 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide is sourced from PubChem (CID 63707704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).