N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C16H22N4O3S — CID 18083462

IUPACN-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccco3)nc2)CC1
InChIInChI=1S/C16H22N4O3S/c1-18-7-9-20(10-8-18)24(21,22)15-5-6-16(17-12-15)19(2)13-14-4-3-11-23-14/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyMQNRQOJEZPILJI-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.25
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 18083462) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID18083462
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccco3)nc2)CC1
InChIInChI=1S/C16H22N4O3S/c1-18-7-9-20(10-8-18)24(21,22)15-5-6-16(17-12-15)19(2)13-14-4-3-11-23-14/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyMQNRQOJEZPILJI-UHFFFAOYSA-N
XLogP1.25
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17426488
N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268282
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133288130
N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133355540
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9195193
[6-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61256036
5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
CID 135189817
N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide
CID 26144756

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 18083462) is N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccco3)nc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is MQNRQOJEZPILJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-18-7-9-20(10-8-18)24(21,22)15-5-6-16(17-12-15)19(2)13-14-4-3-11-23-14/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 350.44 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 18083462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).