N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide

C9H15N3O3S — CID 62825062

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)NCC1CCOC1
InChIInChI=1S/C9H15N3O3S/c10-7(16)4-12-9(14)8(13)11-3-6-1-2-15-5-6/h6H,1-5H2,(H2,10,16)(H,11,13)(H,12,14)
InChIKeyHHJZVQAFPZOWCI-UHFFFAOYSA-N
MW245.30 g/mol
LogP-1.46
Rot. Bonds4

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

N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide (PubChem CID 62825062) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide
PubChem CID62825062
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)NCC1CCOC1
InChIInChI=1S/C9H15N3O3S/c10-7(16)4-12-9(14)8(13)11-3-6-1-2-15-5-6/h6H,1-5H2,(H2,10,16)(H,11,13)(H,12,14)
InChIKeyHHJZVQAFPZOWCI-UHFFFAOYSA-N
XLogP-1.46
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
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

[(3S)-oxolan-3-yl]methylthiourea
CID 155092618
N'-(2-amino-2-sulfanylideneethyl)-N-(1,4-dioxan-2-ylmethyl)oxamide
CID 54908307
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide
CID 63707704
2-nitro-1-(oxolan-3-ylmethyl)guanidine
CID 137133190
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
CID 103515423
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
2-(cyclopentylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 60920124
2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978063

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide (CID 62825062) is N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide is NC(=S)CNC(=O)C(=O)NCC1CCOC1.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide?
The InChIKey is HHJZVQAFPZOWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c10-7(16)4-12-9(14)8(13)11-3-6-1-2-15-5-6/h6H,1-5H2,(H2,10,16)(H,11,13)(H,12,14).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide has a molecular weight of 245.30 g/mol, XLogP of -1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide is sourced from PubChem (CID 62825062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).