N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide

C11H19N3O2S — CID 67725999

IUPACN-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide
SMILESCC(N)CNc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C11H19N3O2S/c1-9(12)8-13-10-4-6-11(7-5-10)14(2)17(3,15)16/h4-7,9,13H,8,12H2,1-3H3
InChIKeyVCQKLLRBBCSZDO-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.84
Rot. Bonds5

About N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide

N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide (PubChem CID 67725999) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide
PubChem CID67725999
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide
SMILESCC(N)CNc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C11H19N3O2S/c1-9(12)8-13-10-4-6-11(7-5-10)14(2)17(3,15)16/h4-7,9,13H,8,12H2,1-3H3
InChIKeyVCQKLLRBBCSZDO-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
CID 117358329
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
1-N-(4-chlorophenyl)propane-1,2-diamine
CID 18972775
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-propan-2-yloxyphenyl)butanamide
CID 133161996
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
N-(2-methylsulfonylpropyl)aniline
CID 104519124
1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
(2S)-1-[4-(dimethylamino)anilino]propan-2-ol
CID 93345471
4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride
CID 19080175
2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 65035671

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide (CID 67725999) is N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide is CC(N)CNc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide?
The InChIKey is VCQKLLRBBCSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(12)8-13-10-4-6-11(7-5-10)14(2)17(3,15)16/h4-7,9,13H,8,12H2,1-3H3.
What are the key properties of N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide?
N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 67725999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).