4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide

C12H21N5O2S — CID 107355689

IUPAC4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C12H21N5O2S/c1-15(2)20(18,19)17-7-5-16(6-8-17)12-4-3-11(9-13)10-14-12/h3-4,10H,5-9,13H2,1-2H3
InChIKeyNHMMSQVVXBSATN-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.53
Rot. Bonds4

About 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 107355689) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID107355689
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C12H21N5O2S/c1-15(2)20(18,19)17-7-5-16(6-8-17)12-4-3-11(9-13)10-14-12/h3-4,10H,5-9,13H2,1-2H3
InChIKeyNHMMSQVVXBSATN-UHFFFAOYSA-N
XLogP-0.53
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 107355681
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride
CID 69277737
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885
[6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 107355735
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
N,N-dimethyl-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-sulfonamide
CID 71799944
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107355664
N,N-dimethyl-4-(6-morpholin-4-ylpyridine-3-carbonyl)piperazine-1-sulfonamide
CID 32505460

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 107355689) is 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is NHMMSQVVXBSATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-15(2)20(18,19)17-7-5-16(6-8-17)12-4-3-11(9-13)10-14-12/h3-4,10H,5-9,13H2,1-2H3.
What are the key properties of 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 107355689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).