N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide

C12H20N2O2S — CID 23316726

IUPACN-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
SMILESCNCCCCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H20N2O2S/c1-13-10-4-3-5-11-6-8-12(9-7-11)14-17(2,15)16/h6-9,13-14H,3-5,10H2,1-2H3
InChIKeyUBOCREKZFVVQMO-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.60
Rot. Bonds7

About N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide

N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide (PubChem CID 23316726) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
PubChem CID23316726
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
SMILESCNCCCCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H20N2O2S/c1-13-10-4-3-5-11-6-8-12(9-7-11)14-17(2,15)16/h6-9,13-14H,3-5,10H2,1-2H3
InChIKeyUBOCREKZFVVQMO-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.60
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-[4-[4-(methanesulfonamido)phenyl]butyl]formamide
CID 174389661
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
1-tert-butyl-3-[3-[4-(methanesulfonamido)phenyl]propyl]urea
CID 110664447
6-(4-ethylphenyl)-N-methylhexan-1-amine
CID 65308799
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
CID 110417713
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
N-[4-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)ethyl]phenyl]methanesulfonamide
CID 169437444
N-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methanesulfonamide
CID 159770469

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide (CID 23316726) is N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide is CNCCCCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide?
The InChIKey is UBOCREKZFVVQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-13-10-4-3-5-11-6-8-12(9-7-11)14-17(2,15)16/h6-9,13-14H,3-5,10H2,1-2H3.
What are the key properties of N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide?
N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide is sourced from PubChem (CID 23316726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).