1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea

C14H26N4O2S — CID 87475337

IUPAC1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea
SMILESNC(=O)NSN(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H26N4O2S/c15-13(19)17-21-18(12-9-5-2-6-10-12)14(20)16-11-7-3-1-4-8-11/h11-12H,1-10H2,(H,16,20)(H3,15,17,19)
InChIKeySAVDDVJRFMNQBQ-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.89
Rot. Bonds4

About 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea

1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea (PubChem CID 87475337) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea.

Molecular Properties

Compound Name1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea
PubChem CID87475337
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea
SMILESNC(=O)NSN(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H26N4O2S/c15-13(19)17-21-18(12-9-5-2-6-10-12)14(20)16-11-7-3-1-4-8-11/h11-12H,1-10H2,(H,16,20)(H3,15,17,19)
InChIKeySAVDDVJRFMNQBQ-UHFFFAOYSA-N
XLogP2.89
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dicyclohexyl-3-cyclopropylurea
CID 116653816
cyclohexylurea;methanamine
CID 142108304
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
cyclobutylurea;ethane
CID 145319429
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
2-[(2-amino-2-oxoethyl)-(cyclooctylcarbamoyl)amino]acetic acid
CID 107437429
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785
4-bromo-N-cyclohexyl-N-(cyclohexylcarbamoyl)benzamide
CID 139074102
3-cyclohexyl-1-methyl-1-(2-methyl-1-methylsulfanylpropyl)urea
CID 13344400
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea?
The IUPAC name of 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea (CID 87475337) is 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea.
What is the SMILES notation for 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea?
The canonical SMILES for 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea is NC(=O)NSN(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea?
The InChIKey is SAVDDVJRFMNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c15-13(19)17-21-18(12-9-5-2-6-10-12)14(20)16-11-7-3-1-4-8-11/h11-12H,1-10H2,(H,16,20)(H3,15,17,19).
What are the key properties of 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea?
1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea has a molecular weight of 314.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea is sourced from PubChem (CID 87475337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).