2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride

C12H22Cl2N4O2S — CID 178024264

IUPAC2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride
SMILESC[C@H](N)C/C=C/c1cnc(N)c(S(=O)(=O)N(C)C)c1.Cl.Cl
InChIInChI=1S/C12H20N4O2S.2ClH/c1-9(13)5-4-6-10-7-11(12(14)15-8-10)19(17,18)16(2)3;;/h4,6-9H,5,13H2,1-3H3,(H2,14,15);2*1H/b6-4+;;/t9-;;/m0../s1
InChIKeyJRQGVRKPSPBMFQ-VLWFBUMWSA-N
MW357.31 g/mol
LogP1.51
Rot. Bonds5

About 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride

2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride (PubChem CID 178024264) has the molecular formula C12H22Cl2N4O2S and a molecular weight of 357.31 g/mol. Its IUPAC name is 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride
PubChem CID178024264
Molecular FormulaC12H22Cl2N4O2S
Molecular Weight357.31 g/mol
Exact Mass356.08
IUPAC Name2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride
SMILESC[C@H](N)C/C=C/c1cnc(N)c(S(=O)(=O)N(C)C)c1.Cl.Cl
InChIInChI=1S/C12H20N4O2S.2ClH/c1-9(13)5-4-6-10-7-11(12(14)15-8-10)19(17,18)16(2)3;;/h4,6-9H,5,13H2,1-3H3,(H2,14,15);2*1H/b6-4+;;/t9-;;/m0../s1
InChIKeyJRQGVRKPSPBMFQ-VLWFBUMWSA-N
XLogP1.51
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride?
The IUPAC name of 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride (CID 178024264) is 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride.
What is the SMILES notation for 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride?
The canonical SMILES for 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride is C[C@H](N)C/C=C/c1cnc(N)c(S(=O)(=O)N(C)C)c1.Cl.Cl.
What is the InChIKey of 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride?
The InChIKey is JRQGVRKPSPBMFQ-VLWFBUMWSA-N. The full InChI is InChI=1S/C12H20N4O2S.2ClH/c1-9(13)5-4-6-10-7-11(12(14)15-8-10)19(17,18)16(2)3;;/h4,6-9H,5,13H2,1-3H3,(H2,14,15);2*1H/b6-4+;;/t9-;;/m0../s1.
What are the key properties of 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride?
2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride has a molecular weight of 357.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride is sourced from PubChem (CID 178024264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).