N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide

C12H15N3O3S — CID 55003593

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C12H15N3O3S/c13-10(19)6-14-11(16)12(17)15(8-3-4-8)7-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2,(H2,13,19)(H,14,16)
InChIKeyXNQDNIJDIWQFDH-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.17
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide (PubChem CID 55003593) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide
PubChem CID55003593
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C12H15N3O3S/c13-10(19)6-14-11(16)12(17)15(8-3-4-8)7-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2,(H2,13,19)(H,14,16)
InChIKeyXNQDNIJDIWQFDH-UHFFFAOYSA-N
XLogP0.17
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.17
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

2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 114292137
(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963604
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-(furan-2-yl)propanamide
CID 54996706
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide (CID 55003593) is N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide is NC(=S)CNC(=O)C(=O)N(Cc1ccco1)C1CC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide?
The InChIKey is XNQDNIJDIWQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c13-10(19)6-14-11(16)12(17)15(8-3-4-8)7-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2,(H2,13,19)(H,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide has a molecular weight of 281.34 g/mol, XLogP of 0.17, 5 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'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 55003593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).