phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate

C15H20N2O2S — CID 61124032

IUPACphenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
SMILESNC(=S)C(NC(=O)Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20N2O2S/c16-14(20)13(11-7-3-1-4-8-11)17-15(18)19-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H2,16,20)(H,17,18)
InChIKeyXNMMUQKGSROQIY-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.01
Rot. Bonds4

About phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate

phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate (PubChem CID 61124032) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
PubChem CID61124032
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Namephenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
SMILESNC(=S)C(NC(=O)Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20N2O2S/c16-14(20)13(11-7-3-1-4-8-11)17-15(18)19-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H2,16,20)(H,17,18)
InChIKeyXNMMUQKGSROQIY-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
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tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
phenyl N-cyclooctylcarbamate
CID 60636968
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
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diphenyl 2-cyclopentylpropanedioate
CID 102478722
phenyl N-cyclopentylcarbamate
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phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate?
The IUPAC name of phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate (CID 61124032) is phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate.
What is the SMILES notation for phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate?
The canonical SMILES for phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate is NC(=S)C(NC(=O)Oc1ccccc1)C1CCCCC1.
What is the InChIKey of phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate?
The InChIKey is XNMMUQKGSROQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-14(20)13(11-7-3-1-4-8-11)17-15(18)19-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H2,16,20)(H,17,18).
What are the key properties of phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate?
phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate has a molecular weight of 292.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate is sourced from PubChem (CID 61124032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).