cyclopentyl N-(3-propylsulfanylpropyl)carbamate

C12H23NO2S — CID 141077176

IUPACcyclopentyl N-(3-propylsulfanylpropyl)carbamate
SMILESCCCSCCCNC(=O)OC1CCCC1
InChIInChI=1S/C12H23NO2S/c1-2-9-16-10-5-8-13-12(14)15-11-6-3-4-7-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyWOOHNHLKHKWDDR-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.19
Rot. Bonds7

About cyclopentyl N-(3-propylsulfanylpropyl)carbamate

cyclopentyl N-(3-propylsulfanylpropyl)carbamate (PubChem CID 141077176) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is cyclopentyl N-(3-propylsulfanylpropyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(3-propylsulfanylpropyl)carbamate
PubChem CID141077176
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Namecyclopentyl N-(3-propylsulfanylpropyl)carbamate
SMILESCCCSCCCNC(=O)OC1CCCC1
InChIInChI=1S/C12H23NO2S/c1-2-9-16-10-5-8-13-12(14)15-11-6-3-4-7-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyWOOHNHLKHKWDDR-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(3-propylsulfanylpropyl)carbamate?
The IUPAC name of cyclopentyl N-(3-propylsulfanylpropyl)carbamate (CID 141077176) is cyclopentyl N-(3-propylsulfanylpropyl)carbamate.
What is the SMILES notation for cyclopentyl N-(3-propylsulfanylpropyl)carbamate?
The canonical SMILES for cyclopentyl N-(3-propylsulfanylpropyl)carbamate is CCCSCCCNC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-(3-propylsulfanylpropyl)carbamate?
The InChIKey is WOOHNHLKHKWDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-9-16-10-5-8-13-12(14)15-11-6-3-4-7-11/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of cyclopentyl N-(3-propylsulfanylpropyl)carbamate?
cyclopentyl N-(3-propylsulfanylpropyl)carbamate has a molecular weight of 245.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(3-propylsulfanylpropyl)carbamate is sourced from PubChem (CID 141077176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).