N-(3-pentylsulfonylpropyl)aniline

C14H23NO2S — CID 107757198

IUPACN-(3-pentylsulfonylpropyl)aniline
SMILESCCCCCS(=O)(=O)CCCNc1ccccc1
InChIInChI=1S/C14H23NO2S/c1-2-3-7-12-18(16,17)13-8-11-15-14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyYOTMRTXTCMOJJY-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.09
Rot. Bonds9

About N-(3-pentylsulfonylpropyl)aniline

N-(3-pentylsulfonylpropyl)aniline (PubChem CID 107757198) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(3-pentylsulfonylpropyl)aniline.

Molecular Properties

Compound NameN-(3-pentylsulfonylpropyl)aniline
PubChem CID107757198
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(3-pentylsulfonylpropyl)aniline
SMILESCCCCCS(=O)(=O)CCCNc1ccccc1
InChIInChI=1S/C14H23NO2S/c1-2-3-7-12-18(16,17)13-8-11-15-14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyYOTMRTXTCMOJJY-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.09
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

N-nonadecylaniline
CID 54509054
4-N-(3-butylsulfonylpropyl)benzene-1,4-diamine
CID 58586711
N-heptylaniline;hydrate
CID 174886464
2-anilino-3-octylsulfonylpropan-1-ol
CID 13430478
2-(3-anilinopropylsulfonyl)acetamide
CID 114231941
N-(2-pentylsulfonylpropyl)aniline
CID 107757153
5-anilinopentane-1-sulfonyl chloride
CID 88814944
N-propylaniline
CID 12153
1-anilinooctan-4-one
CID 10680405
N-(12-dodecoxydodecyl)aniline
CID 54486065
N-(4-butyloctyl)aniline
CID 175196464
N-octyl-N'-phenylethane-1,2-diamine
CID 115568749

Frequently Asked Questions

What is the IUPAC name of N-(3-pentylsulfonylpropyl)aniline?
The IUPAC name of N-(3-pentylsulfonylpropyl)aniline (CID 107757198) is N-(3-pentylsulfonylpropyl)aniline.
What is the SMILES notation for N-(3-pentylsulfonylpropyl)aniline?
The canonical SMILES for N-(3-pentylsulfonylpropyl)aniline is CCCCCS(=O)(=O)CCCNc1ccccc1.
What is the InChIKey of N-(3-pentylsulfonylpropyl)aniline?
The InChIKey is YOTMRTXTCMOJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-2-3-7-12-18(16,17)13-8-11-15-14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3.
What are the key properties of N-(3-pentylsulfonylpropyl)aniline?
N-(3-pentylsulfonylpropyl)aniline has a molecular weight of 269.41 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pentylsulfonylpropyl)aniline is sourced from PubChem (CID 107757198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).