3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea

C8H15N3OS — CID 79154410

IUPAC3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C8H15N3OS/c1-11(2)8(12)10-6(7(9)13)5-3-4-5/h5-6H,3-4H2,1-2H3,(H2,9,13)(H,10,12)
InChIKeyXLQDPOVLLKQONO-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.32
Rot. Bonds3

About 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea

3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea (PubChem CID 79154410) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea
PubChem CID79154410
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C8H15N3OS/c1-11(2)8(12)10-6(7(9)13)5-3-4-5/h5-6H,3-4H2,1-2H3,(H2,9,13)(H,10,12)
InChIKeyXLQDPOVLLKQONO-UHFFFAOYSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.32
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-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide
CID 103020480
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602752
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)heptanamide
CID 114752795
3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea
CID 79163516
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
3-(1-cyclobutylethyl)-1,1-dimethylurea
CID 115766548
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide
CID 65098584
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-propylurea
CID 61124824
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-bromo-3-methylbenzamide
CID 114023827
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103401824
2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62710183
2-cyclopropyl-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]acetic acid
CID 114950871

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea (CID 79154410) is 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea is CN(C)C(=O)NC(C(N)=S)C1CC1.
What is the InChIKey of 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea?
The InChIKey is XLQDPOVLLKQONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-11(2)8(12)10-6(7(9)13)5-3-4-5/h5-6H,3-4H2,1-2H3,(H2,9,13)(H,10,12).
What are the key properties of 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea?
3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea has a molecular weight of 201.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea is sourced from PubChem (CID 79154410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).