4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide

C16H29N5O2S — CID 136537496

IUPAC4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCN(Cc2ccnc(N)c2)CC1
InChIInChI=1S/C16H29N5O2S/c1-3-7-20(8-4-2)24(22,23)21-11-9-19(10-12-21)14-15-5-6-18-16(17)13-15/h5-6,13H,3-4,7-12,14H2,1-2H3,(H2,17,18)
InChIKeyHPJPDHSRVXJJKE-UHFFFAOYSA-N
MW355.51 g/mol
LogP1.15
Rot. Bonds8

About 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide

4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide (PubChem CID 136537496) has the molecular formula C16H29N5O2S and a molecular weight of 355.51 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide
PubChem CID136537496
Molecular FormulaC16H29N5O2S
Molecular Weight355.51 g/mol
Exact Mass355.20
IUPAC Name4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCN(Cc2ccnc(N)c2)CC1
InChIInChI=1S/C16H29N5O2S/c1-3-7-20(8-4-2)24(22,23)21-11-9-19(10-12-21)14-15-5-6-18-16(17)13-15/h5-6,13H,3-4,7-12,14H2,1-2H3,(H2,17,18)
InChIKeyHPJPDHSRVXJJKE-UHFFFAOYSA-N
XLogP1.15
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(dipropylsulfamoyl)piperazin-1-yl]methyl]benzoic acid
CID 122033461
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62464864
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide
CID 62159378
1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 62465068
1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 171690317
(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 100698843
4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 113228639
4-(3-propylsulfonylpropyl)pyridin-2-amine
CID 106731731

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide (CID 136537496) is 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCN(Cc2ccnc(N)c2)CC1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide?
The InChIKey is HPJPDHSRVXJJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2S/c1-3-7-20(8-4-2)24(22,23)21-11-9-19(10-12-21)14-15-5-6-18-16(17)13-15/h5-6,13H,3-4,7-12,14H2,1-2H3,(H2,17,18).
What are the key properties of 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide?
4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide has a molecular weight of 355.51 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide is sourced from PubChem (CID 136537496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).