N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide

C16H25N5O3S — CID 25285289

IUPACN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)C1CCCC1
InChIInChI=1S/C16H25N5O3S/c22-15(14-4-1-2-5-14)17-8-13-25(23,24)21-11-9-20(10-12-21)16-18-6-3-7-19-16/h3,6-7,14H,1-2,4-5,8-13H2,(H,17,22)
InChIKeyMMEHXDZKLULBJZ-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.23
Rot. Bonds6

About N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide (PubChem CID 25285289) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide
PubChem CID25285289
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)C1CCCC1
InChIInChI=1S/C16H25N5O3S/c22-15(14-4-1-2-5-14)17-8-13-25(23,24)21-11-9-20(10-12-21)16-18-6-3-7-19-16/h3,6-7,14H,1-2,4-5,8-13H2,(H,17,22)
InChIKeyMMEHXDZKLULBJZ-UHFFFAOYSA-N
XLogP0.23
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}ethyl)cyclopropanecarboxamide
CID 25285286
2-cyclopentyl-N-(2-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}ethyl)acetamide
CID 25285295
N-[2-(pyrimidin-2-ylamino)ethyl]cyclopentanecarboxamide
CID 40150165
7,7-Dioxo-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7lambda6-thia-8-azaspiro[4.5]decan-9-one
CID 44345377
1-methylsulfonyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 45815698
1-(cyclopropanecarbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501322
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502240
N-[1-(cyclopentylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72888219
(4aR,7aS)-N-(cyclopropylmethyl)-6-methylsulfonyl-1-pyrimidin-2-yl-2,3,4,5,7,7a-hexahydropyrrolo[3,4-b]pyridine-4a-carboxamide
CID 97403942
(4S,4aS,7aS)-1,1-dioxo-N-propan-2-yl-6-pyrimidin-2-yl-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrole-4-carboxamide
CID 97512457
(4S,4aS,7aS)-N-(2-methylpropyl)-1,1-dioxo-6-pyrimidin-2-yl-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrole-4-carboxamide
CID 97512479

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide (CID 25285289) is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)C1CCCC1.
What is the InChIKey of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide?
The InChIKey is MMEHXDZKLULBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c22-15(14-4-1-2-5-14)17-8-13-25(23,24)21-11-9-20(10-12-21)16-18-6-3-7-19-16/h3,6-7,14H,1-2,4-5,8-13H2,(H,17,22).
What are the key properties of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide?
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide has a molecular weight of 367.48 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]cyclopentanecarboxamide is sourced from PubChem (CID 25285289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).