N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide

C14H17FN2O2S2 — CID 71934393

IUPACN-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C14H17FN2O2S2/c1-21(18,19)17-8-7-16-10-13-5-6-14(20-13)11-3-2-4-12(15)9-11/h2-6,9,16-17H,7-8,10H2,1H3
InChIKeyLPPVWIINDLMOSG-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.19
Rot. Bonds7

About N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide

N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide (PubChem CID 71934393) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide
PubChem CID71934393
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C14H17FN2O2S2/c1-21(18,19)17-8-7-16-10-13-5-6-14(20-13)11-3-2-4-12(15)9-11/h2-6,9,16-17H,7-8,10H2,1H3
InChIKeyLPPVWIINDLMOSG-UHFFFAOYSA-N
XLogP2.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 5310439
4-[3-[(Propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261768
4-[3-[(Butan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261845
4-[4-[(Tert-butylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265159
4-[3-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265160
4-[4-(Butylaminomethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265187

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide (CID 71934393) is N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1ccc(-c2cccc(F)c2)s1.
What is the InChIKey of N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide?
The InChIKey is LPPVWIINDLMOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-21(18,19)17-8-7-16-10-13-5-6-14(20-13)11-3-2-4-12(15)9-11/h2-6,9,16-17H,7-8,10H2,1H3.
What are the key properties of N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide?
N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(3-fluorophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 71934393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).