N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C17H28N4O2S — CID 133288130

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCN1CCC(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C17H28N4O2S/c1-19-11-7-15(8-12-19)14-20(2)17-6-5-16(13-18-17)24(22,23)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12,14H2,1-2H3
InChIKeyXDDKYGIFNNXVQS-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.64
Rot. Bonds5

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133288130) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID133288130
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCN1CCC(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
InChIInChI=1S/C17H28N4O2S/c1-19-11-7-15(8-12-19)14-20(2)17-6-5-16(13-18-17)24(22,23)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12,14H2,1-2H3
InChIKeyXDDKYGIFNNXVQS-UHFFFAOYSA-N
XLogP1.64
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80632585
N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 78805459
N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268282
N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 8892754
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
N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 112768239
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308607

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 133288130) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is CN1CCC(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is XDDKYGIFNNXVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-19-11-7-15(8-12-19)14-20(2)17-6-5-16(13-18-17)24(22,23)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 352.50 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133288130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).