5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine

C16H27N5O4S2 — CID 55519421

IUPAC5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NC3CCN(S(C)(=O)=O)CC3)nc2)CC1
InChIInChI=1S/C16H27N5O4S2/c1-19-9-11-21(12-10-19)27(24,25)15-3-4-16(17-13-15)18-14-5-7-20(8-6-14)26(2,22)23/h3-4,13-14H,5-12H2,1-2H3,(H,17,18)
InChIKeyCHEBXIJEYVLSRF-UHFFFAOYSA-N
MW417.56 g/mol
LogP-0.15
Rot. Bonds5

About 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine

5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine (PubChem CID 55519421) has the molecular formula C16H27N5O4S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
PubChem CID55519421
Molecular FormulaC16H27N5O4S2
Molecular Weight417.56 g/mol
Exact Mass417.15
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NC3CCN(S(C)(=O)=O)CC3)nc2)CC1
InChIInChI=1S/C16H27N5O4S2/c1-19-9-11-21(12-10-19)27(24,25)15-3-4-16(17-13-15)18-14-5-7-20(8-6-14)26(2,22)23/h3-4,13-14H,5-12H2,1-2H3,(H,17,18)
InChIKeyCHEBXIJEYVLSRF-UHFFFAOYSA-N
XLogP-0.15
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133277663
N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133338051
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376514
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
CID 133301487
6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 26046044
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
(2S)-N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 7778984

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine (CID 55519421) is 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(NC3CCN(S(C)(=O)=O)CC3)nc2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is CHEBXIJEYVLSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S2/c1-19-9-11-21(12-10-19)27(24,25)15-3-4-16(17-13-15)18-14-5-7-20(8-6-14)26(2,22)23/h3-4,13-14H,5-12H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine?
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 417.56 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 55519421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).