N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C14H24N4O2S — CID 5268282

IUPACN,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C14H24N4O2S/c1-4-17(5-2)14-7-6-13(12-15-14)21(19,20)18-10-8-16(3)9-11-18/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyTUFAYNCUBJZCQX-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.86
Rot. Bonds5

About N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 5268282) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID5268282
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C14H24N4O2S/c1-4-17(5-2)14-7-6-13(12-15-14)21(19,20)18-10-8-16(3)9-11-18/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyTUFAYNCUBJZCQX-UHFFFAOYSA-N
XLogP0.86
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]acetamide
CID 55346764
N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4841714
N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133309603
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17426488
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 18083462
5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
CID 135189817
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133288130
N,N-bis(2-methoxyethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55346673
6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267853
1-methyl-4-[[6-(2-methylprop-2-enylsulfanyl)-3-pyridinyl]sulfonyl]piperazine
CID 17412610
[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613052

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 5268282) is N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CCN(CC)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is TUFAYNCUBJZCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-17(5-2)14-7-6-13(12-15-14)21(19,20)18-10-8-16(3)9-11-18/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 5268282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).