N-(2-propylsulfanylethyl)aniline

C11H17NS — CID 62577965

IUPACN-(2-propylsulfanylethyl)aniline
SMILESCCCSCCNc1ccccc1
InChIInChI=1S/C11H17NS/c1-2-9-13-10-8-12-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyKZPVCGKQPKEYET-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.24
Rot. Bonds6

About N-(2-propylsulfanylethyl)aniline

N-(2-propylsulfanylethyl)aniline (PubChem CID 62577965) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-(2-propylsulfanylethyl)aniline.

Molecular Properties

Compound NameN-(2-propylsulfanylethyl)aniline
PubChem CID62577965
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-(2-propylsulfanylethyl)aniline
SMILESCCCSCCNc1ccccc1
InChIInChI=1S/C11H17NS/c1-2-9-13-10-8-12-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyKZPVCGKQPKEYET-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.24
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-propylaniline
CID 12153
N-phenyl-N'-propylsulfanylethane-1,2-diamine
CID 123519901
N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline
CID 25130926
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline
CID 175770295
N'-iodo-N-phenylethane-1,2-diamine
CID 134342135
N-[2-(4-tert-butylphenyl)sulfanylethyl]aniline
CID 63515630
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
ethane;N'-phenylethane-1,2-diamine
CID 91048519
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574

Frequently Asked Questions

What is the IUPAC name of N-(2-propylsulfanylethyl)aniline?
The IUPAC name of N-(2-propylsulfanylethyl)aniline (CID 62577965) is N-(2-propylsulfanylethyl)aniline.
What is the SMILES notation for N-(2-propylsulfanylethyl)aniline?
The canonical SMILES for N-(2-propylsulfanylethyl)aniline is CCCSCCNc1ccccc1.
What is the InChIKey of N-(2-propylsulfanylethyl)aniline?
The InChIKey is KZPVCGKQPKEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-9-13-10-8-12-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of N-(2-propylsulfanylethyl)aniline?
N-(2-propylsulfanylethyl)aniline has a molecular weight of 195.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylsulfanylethyl)aniline is sourced from PubChem (CID 62577965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).