2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide

C12H22N4O2S — CID 62159378

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide
SMILESCCCN(CCN(C)C)S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C12H22N4O2S/c1-4-7-16(9-8-15(2)3)19(17,18)11-5-6-14-12(13)10-11/h5-6,10H,4,7-9H2,1-3H3,(H2,13,14)
InChIKeyNSSZUHLCQPKWIW-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.63
Rot. Bonds7

About 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide

2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide (PubChem CID 62159378) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide
PubChem CID62159378
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide
SMILESCCCN(CCN(C)C)S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C12H22N4O2S/c1-4-7-16(9-8-15(2)3)19(17,18)11-5-6-14-12(13)10-11/h5-6,10H,4,7-9H2,1-3H3,(H2,13,14)
InChIKeyNSSZUHLCQPKWIW-UHFFFAOYSA-N
XLogP0.63
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
CID 62144437
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propylbenzenesulfonamide
CID 62158476
2-amino-N-methyl-N-(2-methylbutyl)pyridine-4-sulfonamide
CID 62143940
2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 107485955
2-amino-N-ethyl-N-(4-methylphenyl)pyridine-4-sulfonamide
CID 62158760
2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
CID 62151483
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 55043601
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
N,N-dipropylbenzenesulfonamide
CID 4053954
4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide
CID 136537496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide (CID 62159378) is 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide is CCCN(CCN(C)C)S(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide?
The InChIKey is NSSZUHLCQPKWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-7-16(9-8-15(2)3)19(17,18)11-5-6-14-12(13)10-11/h5-6,10H,4,7-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide?
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide is sourced from PubChem (CID 62159378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).