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

C16H28N2O5S2 — CID 164631089

IUPACN-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)[C@H]2CCS(=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)/t15-/m0/s1
InChIKeyRLXHEJCNSVUSLU-HNNXBMFYSA-N
MW392.54 g/mol
LogP0.52
Rot. Bonds5

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

N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 164631089) has the molecular formula C16H28N2O5S2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
PubChem CID164631089
Molecular FormulaC16H28N2O5S2
Molecular Weight392.54 g/mol
Exact Mass392.14
IUPAC NameN-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)[C@H]2CCS(=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)/t15-/m0/s1
InChIKeyRLXHEJCNSVUSLU-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide (CID 164631089) is N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide is O=C(NCC1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C1CCCC1.
What is the InChIKey of N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is RLXHEJCNSVUSLU-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of N-[[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide?
N-[[1-[(3S)-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-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 164631089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).