3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C17H27N5O3S — CID 55365489

IUPAC3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCN1CCN(S(=O)(=O)c2ccc(NCCC(=O)N3CCCC3)nc2)CC1
InChIInChI=1S/C17H27N5O3S/c1-20-10-12-22(13-11-20)26(24,25)15-4-5-16(19-14-15)18-7-6-17(23)21-8-2-3-9-21/h4-5,14H,2-3,6-13H2,1H3,(H,18,19)
InChIKeyFQOSGMPLNLETIM-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.44
Rot. Bonds6

About 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one

3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 55365489) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID55365489
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCN1CCN(S(=O)(=O)c2ccc(NCCC(=O)N3CCCC3)nc2)CC1
InChIInChI=1S/C17H27N5O3S/c1-20-10-12-22(13-11-20)26(24,25)15-4-5-16(19-14-15)18-7-6-17(23)21-8-2-3-9-21/h4-5,14H,2-3,6-13H2,1H3,(H,18,19)
InChIKeyFQOSGMPLNLETIM-UHFFFAOYSA-N
XLogP0.44
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
CID 55465237
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
CID 55680878
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133347670
3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 133332233

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 55365489) is 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one is CN1CCN(S(=O)(=O)c2ccc(NCCC(=O)N3CCCC3)nc2)CC1.
What is the InChIKey of 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FQOSGMPLNLETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-20-10-12-22(13-11-20)26(24,25)15-4-5-16(19-14-15)18-7-6-17(23)21-8-2-3-9-21/h4-5,14H,2-3,6-13H2,1H3,(H,18,19).
What are the key properties of 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 381.50 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 55365489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).