N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide

C16H28N2O5S2 — CID 131897834

IUPACN-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1)C1CCCC1
InChIInChI=1S/C16H28N2O5S2/c19-16(14-3-1-2-4-14)17-11-13-5-8-18(9-6-13)25(22,23)15-7-10-24(20,21)12-15/h13-15H,1-12H2,(H,17,19)
InChIKeyRLXHEJCNSVUSLU-UHFFFAOYSA-N
MW392.54 g/mol
LogP0.52
Rot. Bonds5

About N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide

N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 131897834) has the molecular formula C16H28N2O5S2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
PubChem CID131897834
Molecular FormulaC16H28N2O5S2
Molecular Weight392.54 g/mol
Exact Mass392.14
IUPAC NameN-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1)C1CCCC1
InChIInChI=1S/C16H28N2O5S2/c19-16(14-3-1-2-4-14)17-11-13-5-8-18(9-6-13)25(22,23)15-7-10-24(20,21)12-15/h13-15H,1-12H2,(H,17,19)
InChIKeyRLXHEJCNSVUSLU-UHFFFAOYSA-N
XLogP0.52
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide
CID 127363128
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
methyl (3S)-1-(1,1-dioxothiolan-3-yl)sulfonylpiperidine-3-carboxylate
CID 115536276
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol
CID 62086020
N-[[1-(3-hydroxypropanoyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131921966
ethyl 1-(1,1-dioxothiolan-3-yl)sulfonylpiperidine-2-carboxylate
CID 115539005
N-[[1-(4-aminophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173135990
1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63597100
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 131897706

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide (CID 131897834) is N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide is O=C(NCC1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1)C1CCCC1.
What is the InChIKey of N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is RLXHEJCNSVUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5S2/c19-16(14-3-1-2-4-14)17-11-13-5-8-18(9-6-13)25(22,23)15-7-10-24(20,21)12-15/h13-15H,1-12H2,(H,17,19).
What are the key properties of N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide?
N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 392.54 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 131897834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).