5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate

C14H18ClNO2S — CID 154217829

IUPAC5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate
SMILESC=CSCCCCCOC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2S/c1-2-19-11-5-3-4-10-18-14(17)16-13-8-6-12(15)7-9-13/h2,6-9H,1,3-5,10-11H2,(H,16,17)
InChIKeyDXQSFOYNZJIONE-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.94
Rot. Bonds8

About 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate

5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate (PubChem CID 154217829) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate
PubChem CID154217829
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate
SMILESC=CSCCCCCOC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2S/c1-2-19-11-5-3-4-10-18-14(17)16-13-8-6-12(15)7-9-13/h2,6-9H,1,3-5,10-11H2,(H,16,17)
InChIKeyDXQSFOYNZJIONE-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.94
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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Related Compounds

6-[(4-chlorophenyl)carbamoyloxy]hexyl 2-methylbutanoate
CID 59366004
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
11-(4-chlorophenyl)sulfanylundecyl prop-2-enoate
CID 169195857
octyl (E)-4-(4-chloroanilino)-4-oxobut-2-enoate
CID 91713083
hexyl N-[4-(2-methylbut-3-en-2-yloxy)phenyl]carbamate
CID 139639174
heptyl 5-(4-chloroanilino)-5-oxopentanoate
CID 91707630
dodecyl N-phenylcarbamate
CID 521818
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336

Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate (CID 154217829) is 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate is C=CSCCCCCOC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate?
The InChIKey is DXQSFOYNZJIONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c1-2-19-11-5-3-4-10-18-14(17)16-13-8-6-12(15)7-9-13/h2,6-9H,1,3-5,10-11H2,(H,16,17).
What are the key properties of 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate?
5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate has a molecular weight of 299.82 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfanylpentyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 154217829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).