3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide

C17H30N6O2S — CID 46595882

IUPAC3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C17H30N6O2S/c1-16-5-2-10-23(15-16)26(24,25)20-8-4-9-21-11-13-22(14-12-21)17-18-6-3-7-19-17/h3,6-7,16,20H,2,4-5,8-15H2,1H3
InChIKeyUDMUTQLBAOCWGT-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.56
Rot. Bonds7

About 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide

3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide (PubChem CID 46595882) has the molecular formula C17H30N6O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
PubChem CID46595882
Molecular FormulaC17H30N6O2S
Molecular Weight382.53 g/mol
Exact Mass382.22
IUPAC Name3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C17H30N6O2S/c1-16-5-2-10-23(15-16)26(24,25)20-8-4-9-21-11-13-22(14-12-21)17-18-6-3-7-19-17/h3,6-7,16,20H,2,4-5,8-15H2,1H3
InChIKeyUDMUTQLBAOCWGT-UHFFFAOYSA-N
XLogP0.56
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
CID 37302509
(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
CID 51939583
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
N-ethyl-3-methyl-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111144704
N-ethyl-3-methyl-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111144703
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
3-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
CID 67792354
N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111154583

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide (CID 46595882) is 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is UDMUTQLBAOCWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2S/c1-16-5-2-10-23(15-16)26(24,25)20-8-4-9-21-11-13-22(14-12-21)17-18-6-3-7-19-17/h3,6-7,16,20H,2,4-5,8-15H2,1H3.
What are the key properties of 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide?
3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 382.53 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 46595882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).