(cyclooctylsulfanylamino)urea

C9H19N3OS — CID 151345414

IUPAC(cyclooctylsulfanylamino)urea
SMILESNC(=O)NNSC1CCCCCCC1
InChIInChI=1S/C9H19N3OS/c10-9(13)11-12-14-8-6-4-2-1-3-5-7-8/h8,12H,1-7H2,(H3,10,11,13)
InChIKeyOLIXKAWOXOMORO-UHFFFAOYSA-N
MW217.34 g/mol
LogP1.92
Rot. Bonds3

About (cyclooctylsulfanylamino)urea

(cyclooctylsulfanylamino)urea (PubChem CID 151345414) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is (cyclooctylsulfanylamino)urea.

Molecular Properties

Compound Name(cyclooctylsulfanylamino)urea
PubChem CID151345414
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name(cyclooctylsulfanylamino)urea
SMILESNC(=O)NNSC1CCCCCCC1
InChIInChI=1S/C9H19N3OS/c10-9(13)11-12-14-8-6-4-2-1-3-5-7-8/h8,12H,1-7H2,(H3,10,11,13)
InChIKeyOLIXKAWOXOMORO-UHFFFAOYSA-N
XLogP1.92
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclooctylsulfanylamino)urea?
The IUPAC name of (cyclooctylsulfanylamino)urea (CID 151345414) is (cyclooctylsulfanylamino)urea.
What is the SMILES notation for (cyclooctylsulfanylamino)urea?
The canonical SMILES for (cyclooctylsulfanylamino)urea is NC(=O)NNSC1CCCCCCC1.
What is the InChIKey of (cyclooctylsulfanylamino)urea?
The InChIKey is OLIXKAWOXOMORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c10-9(13)11-12-14-8-6-4-2-1-3-5-7-8/h8,12H,1-7H2,(H3,10,11,13).
What are the key properties of (cyclooctylsulfanylamino)urea?
(cyclooctylsulfanylamino)urea has a molecular weight of 217.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclooctylsulfanylamino)urea is sourced from PubChem (CID 151345414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).