1-cyclohexyl-1-(thian-4-yl)urea

C12H22N2OS — CID 67472876

IUPAC1-cyclohexyl-1-(thian-4-yl)urea
SMILESNC(=O)N(C1CCCCC1)C1CCSCC1
InChIInChI=1S/C12H22N2OS/c13-12(15)14(10-4-2-1-3-5-10)11-6-8-16-9-7-11/h10-11H,1-9H2,(H2,13,15)
InChIKeyNDJFIWDAIHHXGA-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.60
Rot. Bonds2

About 1-cyclohexyl-1-(thian-4-yl)urea

1-cyclohexyl-1-(thian-4-yl)urea (PubChem CID 67472876) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-(thian-4-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(thian-4-yl)urea
PubChem CID67472876
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-cyclohexyl-1-(thian-4-yl)urea
SMILESNC(=O)N(C1CCCCC1)C1CCSCC1
InChIInChI=1S/C12H22N2OS/c13-12(15)14(10-4-2-1-3-5-10)11-6-8-16-9-7-11/h10-11H,1-9H2,(H2,13,15)
InChIKeyNDJFIWDAIHHXGA-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(thian-4-yl)urea?
The IUPAC name of 1-cyclohexyl-1-(thian-4-yl)urea (CID 67472876) is 1-cyclohexyl-1-(thian-4-yl)urea.
What is the SMILES notation for 1-cyclohexyl-1-(thian-4-yl)urea?
The canonical SMILES for 1-cyclohexyl-1-(thian-4-yl)urea is NC(=O)N(C1CCCCC1)C1CCSCC1.
What is the InChIKey of 1-cyclohexyl-1-(thian-4-yl)urea?
The InChIKey is NDJFIWDAIHHXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c13-12(15)14(10-4-2-1-3-5-10)11-6-8-16-9-7-11/h10-11H,1-9H2,(H2,13,15).
What are the key properties of 1-cyclohexyl-1-(thian-4-yl)urea?
1-cyclohexyl-1-(thian-4-yl)urea has a molecular weight of 242.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(thian-4-yl)urea is sourced from PubChem (CID 67472876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).