3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea

C6H13N3OS — CID 79159558

IUPAC3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCC(N)=S
InChIInChI=1S/C6H13N3OS/c1-3-9(2)6(10)8-4-5(7)11/h3-4H2,1-2H3,(H2,7,11)(H,8,10)
InChIKeyZNNVMLBDSPRUDZ-UHFFFAOYSA-N
MW175.26 g/mol
LogP-0.07
Rot. Bonds3

About 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea

3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea (PubChem CID 79159558) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
PubChem CID79159558
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Name3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCC(N)=S
InChIInChI=1S/C6H13N3OS/c1-3-9(2)6(10)8-4-5(7)11/h3-4H2,1-2H3,(H2,7,11)(H,8,10)
InChIKeyZNNVMLBDSPRUDZ-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)propanamide
CID 61126887
1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
3-amino-1-ethyl-1-methylurea
CID 43263702
3-(3-amino-3-hydroxyiminopropyl)-1-ethyl-1-methylurea
CID 79163045
3-(cyanomethyl)-1-ethyl-1-methylurea
CID 79160219
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide
CID 43316467
3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea
CID 79160138
1-ethyl-1-methyl-3-prop-2-enylurea
CID 115603850
1-ethyl-1-methylurea
CID 3032104
CID 59109308
CID 59109308
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea (CID 79159558) is 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea is CCN(C)C(=O)NCC(N)=S.
What is the InChIKey of 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea?
The InChIKey is ZNNVMLBDSPRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-3-9(2)6(10)8-4-5(7)11/h3-4H2,1-2H3,(H2,7,11)(H,8,10).
What are the key properties of 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea?
3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea has a molecular weight of 175.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79159558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).