3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide

C14H25N3O3S — CID 103388445

IUPAC3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCOCC(CCCN)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H25N3O3S/c1-17(2)21(18,19)14-8-4-6-12(10-14)16-13(11-20-3)7-5-9-15/h4,6,8,10,13,16H,5,7,9,11,15H2,1-3H3
InChIKeyORTGCKDZLNPNTH-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.10
Rot. Bonds9

About 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide

3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 103388445) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID103388445
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCOCC(CCCN)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H25N3O3S/c1-17(2)21(18,19)14-8-4-6-12(10-14)16-13(11-20-3)7-5-9-15/h4,6,8,10,13,16H,5,7,9,11,15H2,1-3H3
InChIKeyORTGCKDZLNPNTH-UHFFFAOYSA-N
XLogP1.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-N-(3-methylsulfanylphenyl)pentane-1,4-diamine
CID 103387005
3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43784811
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
1-N-(3-aminopropyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119961996
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
4-N-(2-fluoro-6-nitrophenyl)-5-methoxypentane-1,4-diamine
CID 103390453
5-methoxy-4-N-(2-methyl-3-nitrophenyl)pentane-1,4-diamine
CID 103388500
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine
CID 103389429
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide (CID 103388445) is 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide is COCC(CCCN)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ORTGCKDZLNPNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-17(2)21(18,19)14-8-4-6-12(10-14)16-13(11-20-3)7-5-9-15/h4,6,8,10,13,16H,5,7,9,11,15H2,1-3H3.
What are the key properties of 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide?
3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 103388445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).