N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline

C22H32N2S — CID 67638434

IUPACN-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
SMILESCCCCCNc1ccccc1Sc1ccccc1NCCCCC
InChIInChI=1S/C22H32N2S/c1-3-5-11-17-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)24-18-12-6-4-2/h7-10,13-16,23-24H,3-6,11-12,17-18H2,1-2H3
InChIKeyHUCHUQPEKFTPFM-UHFFFAOYSA-N
MW356.58 g/mol
LogP7.04
Rot. Bonds12

About N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline

N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline (PubChem CID 67638434) has the molecular formula C22H32N2S and a molecular weight of 356.58 g/mol. Its IUPAC name is N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline.

Molecular Properties

Compound NameN-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
PubChem CID67638434
Molecular FormulaC22H32N2S
Molecular Weight356.58 g/mol
Exact Mass356.23
IUPAC NameN-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
SMILESCCCCCNc1ccccc1Sc1ccccc1NCCCCC
InChIInChI=1S/C22H32N2S/c1-3-5-11-17-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)24-18-12-6-4-2/h7-10,13-16,23-24H,3-6,11-12,17-18H2,1-2H3
InChIKeyHUCHUQPEKFTPFM-UHFFFAOYSA-N
XLogP7.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-2-methylsulfanylaniline
CID 43683418
2-(disulfanyl)-N-pentylaniline
CID 87877480
2-ethylsulfanyl-N-pentylaniline
CID 60935079
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
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]phenyl]sulfanylaniline
CID 10601342
[2-(hexadecylamino)phenyl]-trimethylazanium
CID 21226594
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
N-decyl-2-(4-methylpentan-2-yl)aniline
CID 150856214

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline?
The IUPAC name of N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline (CID 67638434) is N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline.
What is the SMILES notation for N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline?
The canonical SMILES for N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline is CCCCCNc1ccccc1Sc1ccccc1NCCCCC.
What is the InChIKey of N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline?
The InChIKey is HUCHUQPEKFTPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2S/c1-3-5-11-17-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)24-18-12-6-4-2/h7-10,13-16,23-24H,3-6,11-12,17-18H2,1-2H3.
What are the key properties of N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline?
N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline has a molecular weight of 356.58 g/mol, XLogP of 7.04, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline is sourced from PubChem (CID 67638434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).