N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide

C13H22FN3O3S — CID 103388710

IUPACN-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
SMILESCOCC(CCCN)Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C13H22FN3O3S/c1-20-9-11(4-3-7-15)16-10-5-6-12(14)13(8-10)17-21(2,18)19/h5-6,8,11,16-17H,3-4,7,9,15H2,1-2H3
InChIKeyOMPCDQMJHAGQCC-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.36
Rot. Bonds9

About N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide

N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide (PubChem CID 103388710) has the molecular formula C13H22FN3O3S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
PubChem CID103388710
Molecular FormulaC13H22FN3O3S
Molecular Weight319.40 g/mol
Exact Mass319.14
IUPAC NameN-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
SMILESCOCC(CCCN)Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C13H22FN3O3S/c1-20-9-11(4-3-7-15)16-10-5-6-12(14)13(8-10)17-21(2,18)19/h5-6,8,11,16-17H,3-4,7,9,15H2,1-2H3
InChIKeyOMPCDQMJHAGQCC-UHFFFAOYSA-N
XLogP1.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 103388445
4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine
CID 103389279
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
CID 103390195
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
CID 103387298
5-methoxy-4-N-(3-methylsulfanylphenyl)pentane-1,4-diamine
CID 103387005
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide (CID 103388710) is N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide is COCC(CCCN)Nc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide?
The InChIKey is OMPCDQMJHAGQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O3S/c1-20-9-11(4-3-7-15)16-10-5-6-12(14)13(8-10)17-21(2,18)19/h5-6,8,11,16-17H,3-4,7,9,15H2,1-2H3.
What are the key properties of N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide?
N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide has a molecular weight of 319.40 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 103388710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).