(1-methylsulfanylcyclobutyl)methylurea

C7H14N2OS — CID 107265857

IUPAC(1-methylsulfanylcyclobutyl)methylurea
SMILESCSC1(CNC(N)=O)CCC1
InChIInChI=1S/C7H14N2OS/c1-11-7(3-2-4-7)5-9-6(8)10/h2-5H2,1H3,(H3,8,9,10)
InChIKeyWZTLIQIHOVRABE-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.94
Rot. Bonds3

About (1-methylsulfanylcyclobutyl)methylurea

(1-methylsulfanylcyclobutyl)methylurea (PubChem CID 107265857) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is (1-methylsulfanylcyclobutyl)methylurea.

Molecular Properties

Compound Name(1-methylsulfanylcyclobutyl)methylurea
PubChem CID107265857
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name(1-methylsulfanylcyclobutyl)methylurea
SMILESCSC1(CNC(N)=O)CCC1
InChIInChI=1S/C7H14N2OS/c1-11-7(3-2-4-7)5-9-6(8)10/h2-5H2,1H3,(H3,8,9,10)
InChIKeyWZTLIQIHOVRABE-UHFFFAOYSA-N
XLogP0.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfanylcyclobutyl)methylurea?
The IUPAC name of (1-methylsulfanylcyclobutyl)methylurea (CID 107265857) is (1-methylsulfanylcyclobutyl)methylurea.
What is the SMILES notation for (1-methylsulfanylcyclobutyl)methylurea?
The canonical SMILES for (1-methylsulfanylcyclobutyl)methylurea is CSC1(CNC(N)=O)CCC1.
What is the InChIKey of (1-methylsulfanylcyclobutyl)methylurea?
The InChIKey is WZTLIQIHOVRABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-11-7(3-2-4-7)5-9-6(8)10/h2-5H2,1H3,(H3,8,9,10).
What are the key properties of (1-methylsulfanylcyclobutyl)methylurea?
(1-methylsulfanylcyclobutyl)methylurea has a molecular weight of 174.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfanylcyclobutyl)methylurea is sourced from PubChem (CID 107265857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).