2-amino-N-pentylbenzenesulfinamide;ethane

C13H24N2OS — CID 143020857

IUPAC2-amino-N-pentylbenzenesulfinamide;ethane
SMILESCC.CCCCCNS(=O)c1ccccc1N
InChIInChI=1S/C11H18N2OS.C2H6/c1-2-3-6-9-13-15(14)11-8-5-4-7-10(11)12;1-2/h4-5,7-8,13H,2-3,6,9,12H2,1H3;1-2H3
InChIKeyVUZMXOOZGNYQQF-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.10
Rot. Bonds6

About 2-amino-N-pentylbenzenesulfinamide;ethane

2-amino-N-pentylbenzenesulfinamide;ethane (PubChem CID 143020857) has the molecular formula C13H24N2OS and a molecular weight of 256.42 g/mol. Its IUPAC name is 2-amino-N-pentylbenzenesulfinamide;ethane.

Molecular Properties

Compound Name2-amino-N-pentylbenzenesulfinamide;ethane
PubChem CID143020857
Molecular FormulaC13H24N2OS
Molecular Weight256.42 g/mol
Exact Mass256.16
IUPAC Name2-amino-N-pentylbenzenesulfinamide;ethane
SMILESCC.CCCCCNS(=O)c1ccccc1N
InChIInChI=1S/C11H18N2OS.C2H6/c1-2-3-6-9-13-15(14)11-8-5-4-7-10(11)12;1-2/h4-5,7-8,13H,2-3,6,9,12H2,1H3;1-2H3
InChIKeyVUZMXOOZGNYQQF-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
N-butyl-5-(dimethylamino)naphthalene-1-sulfinamide
CID 143166052
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-N-dodecylbenzamide
CID 54099396
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
1-(2-aminophenyl)-3-nonylurea
CID 177454724
benzene-1,2-diamine;decan-1-amine
CID 174921659
2-amino-N-(4-methoxyphenyl)benzenesulfinamide
CID 143020889
2-aminobenzenesulfinyl fluoride
CID 154293880
2-(4-methylpentylsulfinyl)aniline
CID 83161086
2-dodecylbenzenesulfinic acid
CID 15610301
2-butylsulfinylphenol
CID 588406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentylbenzenesulfinamide;ethane?
The IUPAC name of 2-amino-N-pentylbenzenesulfinamide;ethane (CID 143020857) is 2-amino-N-pentylbenzenesulfinamide;ethane.
What is the SMILES notation for 2-amino-N-pentylbenzenesulfinamide;ethane?
The canonical SMILES for 2-amino-N-pentylbenzenesulfinamide;ethane is CC.CCCCCNS(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-pentylbenzenesulfinamide;ethane?
The InChIKey is VUZMXOOZGNYQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS.C2H6/c1-2-3-6-9-13-15(14)11-8-5-4-7-10(11)12;1-2/h4-5,7-8,13H,2-3,6,9,12H2,1H3;1-2H3.
What are the key properties of 2-amino-N-pentylbenzenesulfinamide;ethane?
2-amino-N-pentylbenzenesulfinamide;ethane has a molecular weight of 256.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentylbenzenesulfinamide;ethane is sourced from PubChem (CID 143020857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).