2-ethylsulfanyl-N-pentylaniline

C13H21NS — CID 60935079

IUPAC2-ethylsulfanyl-N-pentylaniline
SMILESCCCCCNc1ccccc1SCC
InChIInChI=1S/C13H21NS/c1-3-5-8-11-14-12-9-6-7-10-13(12)15-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3
InChIKeyYLTXLRIPHSIABZ-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.40
Rot. Bonds7

About 2-ethylsulfanyl-N-pentylaniline

2-ethylsulfanyl-N-pentylaniline (PubChem CID 60935079) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-pentylaniline.

Molecular Properties

Compound Name2-ethylsulfanyl-N-pentylaniline
PubChem CID60935079
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-ethylsulfanyl-N-pentylaniline
SMILESCCCCCNc1ccccc1SCC
InChIInChI=1S/C13H21NS/c1-3-5-8-11-14-12-9-6-7-10-13(12)15-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3
InChIKeyYLTXLRIPHSIABZ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
CID 67638434
N-heptyl-2-methylsulfanylaniline
CID 43683418
2-(disulfanyl)-N-pentylaniline
CID 87877480
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
N-pentyl-2-propan-2-ylaniline
CID 29268175
2-(hexadecylamino)phenol
CID 154256819
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
[2-(hexadecylamino)phenyl]-trimethylazanium
CID 21226594
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
N-decyl-2-(4-methylpentan-2-yl)aniline
CID 150856214

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-pentylaniline?
The IUPAC name of 2-ethylsulfanyl-N-pentylaniline (CID 60935079) is 2-ethylsulfanyl-N-pentylaniline.
What is the SMILES notation for 2-ethylsulfanyl-N-pentylaniline?
The canonical SMILES for 2-ethylsulfanyl-N-pentylaniline is CCCCCNc1ccccc1SCC.
What is the InChIKey of 2-ethylsulfanyl-N-pentylaniline?
The InChIKey is YLTXLRIPHSIABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-5-8-11-14-12-9-6-7-10-13(12)15-4-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-pentylaniline?
2-ethylsulfanyl-N-pentylaniline has a molecular weight of 223.38 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-pentylaniline is sourced from PubChem (CID 60935079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).