N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide

C20H34N2O2S — CID 67798880

IUPACN-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide
SMILESCCCCCCC(CC)NCCC=Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H34N2O2S/c1-4-6-7-8-14-19(5-2)21-16-10-9-12-18-13-11-15-20(17-18)22-25(3,23)24/h9,11-13,15,17,19,21-22H,4-8,10,14,16H2,1-3H3
InChIKeyBJNYJYXIWBZIKC-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.80
Rot. Bonds13

About N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide

N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide (PubChem CID 67798880) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide
PubChem CID67798880
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC NameN-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide
SMILESCCCCCCC(CC)NCCC=Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H34N2O2S/c1-4-6-7-8-14-19(5-2)21-16-10-9-12-18-13-11-15-20(17-18)22-25(3,23)24/h9,11-13,15,17,19,21-22H,4-8,10,14,16H2,1-3H3
InChIKeyBJNYJYXIWBZIKC-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.80
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-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide
CID 19873451
4-methylbenzenesulfonic acid;N-[4-[4-(nonan-3-ylamino)butyl]phenyl]methanesulfonamide
CID 88625405
N-[4-[1-hydroxy-1-iodo-2-(nonan-3-ylamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 70411510
N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide
CID 166654172
N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891471
N-tridecylpentadecan-3-amine
CID 88820168
N-undecan-3-ylaniline
CID 171755615
1-(3-methylundecyl)-3-nonadec-1-enylbenzene
CID 173180950
methyl (2S)-2-[[3-(methanesulfonamido)benzoyl]amino]heptanoate
CID 96530024
6-[3-(1-hydroxyhexyl)phenyl]-2-methylhex-5-enoic acid
CID 67713205
N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide
CID 110667617
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide (CID 67798880) is N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide is CCCCCCC(CC)NCCC=Cc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide?
The InChIKey is BJNYJYXIWBZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-4-6-7-8-14-19(5-2)21-16-10-9-12-18-13-11-15-20(17-18)22-25(3,23)24/h9,11-13,15,17,19,21-22H,4-8,10,14,16H2,1-3H3.
What are the key properties of N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide?
N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide has a molecular weight of 366.57 g/mol, XLogP of 4.80, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide is sourced from PubChem (CID 67798880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).