[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine

C12H20N4O2S — CID 114613052

IUPAC[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
SMILESCCN1CCN(S(=O)(=O)c2ccc(CN)nc2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-15-5-7-16(8-6-15)19(17,18)12-4-3-11(9-13)14-10-12/h3-4,10H,2,5-9,13H2,1H3
InChIKeyCCPAJBYYPCKUSZ-UHFFFAOYSA-N
MW284.39 g/mol
LogP-0.13
Rot. Bonds4

About [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine

[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine (PubChem CID 114613052) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
PubChem CID114613052
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
SMILESCCN1CCN(S(=O)(=O)c2ccc(CN)nc2)CC1
InChIInChI=1S/C12H20N4O2S/c1-2-15-5-7-16(8-6-15)19(17,18)12-4-3-11(9-13)14-10-12/h3-4,10H,2,5-9,13H2,1H3
InChIKeyCCPAJBYYPCKUSZ-UHFFFAOYSA-N
XLogP-0.13
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060
[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613509
5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine
CID 46360864
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62149616
6-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 114613188
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103355759
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
1-ethyl-4-[[6-[(2R)-1-methoxypropan-2-yl]oxy-3-pyridinyl]sulfonyl]piperazine
CID 141059153
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168552
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine?
The IUPAC name of [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine (CID 114613052) is [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine?
The canonical SMILES for [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine is CCN1CCN(S(=O)(=O)c2ccc(CN)nc2)CC1.
What is the InChIKey of [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine?
The InChIKey is CCPAJBYYPCKUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-15-5-7-16(8-6-15)19(17,18)12-4-3-11(9-13)14-10-12/h3-4,10H,2,5-9,13H2,1H3.
What are the key properties of [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine?
[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine has a molecular weight of 284.39 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine is sourced from PubChem (CID 114613052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).