1-(3-methoxypropyl)-1-sulfanylurea

C5H12N2O2S — CID 57174396

IUPAC1-(3-methoxypropyl)-1-sulfanylurea
SMILESCOCCCN(S)C(N)=O
InChIInChI=1S/C5H12N2O2S/c1-9-4-2-3-7(10)5(6)8/h10H,2-4H2,1H3,(H2,6,8)
InChIKeyMFSBKLIZMQWOQD-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.25
Rot. Bonds4

About 1-(3-methoxypropyl)-1-sulfanylurea

1-(3-methoxypropyl)-1-sulfanylurea (PubChem CID 57174396) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-1-sulfanylurea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-1-sulfanylurea
PubChem CID57174396
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name1-(3-methoxypropyl)-1-sulfanylurea
SMILESCOCCCN(S)C(N)=O
InChIInChI=1S/C5H12N2O2S/c1-9-4-2-3-7(10)5(6)8/h10H,2-4H2,1H3,(H2,6,8)
InChIKeyMFSBKLIZMQWOQD-UHFFFAOYSA-N
XLogP0.25
TPSA55.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxybutanamide
CID 22414177
1-(2-hydroxy-3-methoxypropyl)-1-(3-methoxypropyl)urea
CID 163553522
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
1-(4-methoxybutyl)-1-nitrosourea
CID 13445105
4-methoxybutanamide;hydrochloride
CID 141117964
2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63009708
5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 63007906
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
CID 63055708
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
tetradecyl 3-[3-methoxypropyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 58566875

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-1-sulfanylurea?
The IUPAC name of 1-(3-methoxypropyl)-1-sulfanylurea (CID 57174396) is 1-(3-methoxypropyl)-1-sulfanylurea.
What is the SMILES notation for 1-(3-methoxypropyl)-1-sulfanylurea?
The canonical SMILES for 1-(3-methoxypropyl)-1-sulfanylurea is COCCCN(S)C(N)=O.
What is the InChIKey of 1-(3-methoxypropyl)-1-sulfanylurea?
The InChIKey is MFSBKLIZMQWOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-9-4-2-3-7(10)5(6)8/h10H,2-4H2,1H3,(H2,6,8).
What are the key properties of 1-(3-methoxypropyl)-1-sulfanylurea?
1-(3-methoxypropyl)-1-sulfanylurea has a molecular weight of 164.23 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-1-sulfanylurea is sourced from PubChem (CID 57174396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).