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

C16H28N6O2S — CID 37302509

IUPACN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ncccn2)CC1)N1CCCCC1
InChIInChI=1S/C16H28N6O2S/c23-25(24,22-10-2-1-3-11-22)19-8-5-9-20-12-14-21(15-13-20)16-17-6-4-7-18-16/h4,6-7,19H,1-3,5,8-15H2
InChIKeyXHMADFXAJPTHQG-UHFFFAOYSA-N
MW368.51 g/mol
LogP0.31
Rot. Bonds7

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

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide (PubChem CID 37302509) has the molecular formula C16H28N6O2S and a molecular weight of 368.51 g/mol. Its IUPAC name is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
PubChem CID37302509
Molecular FormulaC16H28N6O2S
Molecular Weight368.51 g/mol
Exact Mass368.20
IUPAC NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ncccn2)CC1)N1CCCCC1
InChIInChI=1S/C16H28N6O2S/c23-25(24,22-10-2-1-3-11-22)19-8-5-9-20-12-14-21(15-13-20)16-17-6-4-7-18-16/h4,6-7,19H,1-3,5,8-15H2
InChIKeyXHMADFXAJPTHQG-UHFFFAOYSA-N
XLogP0.31
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 50.31
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

3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
CID 46595882
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
2-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethenesulfonamide
CID 55906148
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
CID 10358464
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;trihydrochloride
CID 119901328
N-butyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 19438727
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 23605772
3-cyclopentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 39539501

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide (CID 37302509) is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide is O=S(=O)(NCCCN1CCN(c2ncccn2)CC1)N1CCCCC1.
What is the InChIKey of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is XHMADFXAJPTHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2S/c23-25(24,22-10-2-1-3-11-22)19-8-5-9-20-12-14-21(15-13-20)16-17-6-4-7-18-16/h4,6-7,19H,1-3,5,8-15H2.
What are the key properties of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide?
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 368.51 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 37302509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).