N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide

C9H14N4O3S — CID 43568518

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
SMILESNC(=S)CNC(=O)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C9H14N4O3S/c10-6(17)3-11-8(15)9(16)12-4-7(14)13-5-1-2-5/h5H,1-4H2,(H2,10,17)(H,11,15)(H,12,16)(H,13,14)
InChIKeyGTSQOVLOBHEKKV-UHFFFAOYSA-N
MW258.30 g/mol
LogP-2.22
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide (PubChem CID 43568518) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
PubChem CID43568518
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
SMILESNC(=S)CNC(=O)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C9H14N4O3S/c10-6(17)3-11-8(15)9(16)12-4-7(14)13-5-1-2-5/h5H,1-4H2,(H2,10,17)(H,11,15)(H,12,16)(H,13,14)
InChIKeyGTSQOVLOBHEKKV-UHFFFAOYSA-N
XLogP-2.22
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
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-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
N-(2-amino-2-sulfanylideneethyl)-N'-(1-methylpyrrolidin-3-yl)oxamide
CID 61465417
2-(cyclopropylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 60842326
N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide
CID 113394784
N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide
CID 64748437
3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 43568522
N'-(2-amino-2-sulfanylideneethyl)-N-(thiolan-3-ylmethyl)oxamide
CID 107296276
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
CID 82112394
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-ynamide
CID 130620155
N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107023146

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide (CID 43568518) is N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide is NC(=S)CNC(=O)C(=O)NCC(=O)NC1CC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide?
The InChIKey is GTSQOVLOBHEKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c10-6(17)3-11-8(15)9(16)12-4-7(14)13-5-1-2-5/h5H,1-4H2,(H2,10,17)(H,11,15)(H,12,16)(H,13,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide has a molecular weight of 258.30 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 43568518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).