N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide

C17H30N2O3S — CID 97216677

IUPACN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1)C1CCCCCCC1
InChIInChI=1S/C17H30N2O3S/c20-17(14-8-4-2-1-3-5-9-14)18-15-12-23(21,22)13-16(15)19-10-6-7-11-19/h14-16H,1-13H2,(H,18,20)/t15-,16-/m1/s1
InChIKeyAKNDTZJYMUKFSM-HZPDHXFCSA-N
MW342.51 g/mol
LogP1.72
Rot. Bonds3

About N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide

N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide (PubChem CID 97216677) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
PubChem CID97216677
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC NameN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1)C1CCCCCCC1
InChIInChI=1S/C17H30N2O3S/c20-17(14-8-4-2-1-3-5-9-14)18-15-12-23(21,22)13-16(15)19-10-6-7-11-19/h14-16H,1-13H2,(H,18,20)/t15-,16-/m1/s1
InChIKeyAKNDTZJYMUKFSM-HZPDHXFCSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide
CID 100825397
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
CID 95313255
(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 124729767
N-(4-chloro-1,1-dioxothiolan-3-yl)cyclooctanecarboxamide
CID 113290261
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3-methylbut-2-enamide
CID 95333224
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
CID 95281956
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide
CID 99976964
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
CID 52872099
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
CID 95298515

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide?
The IUPAC name of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide (CID 97216677) is N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide?
The canonical SMILES for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide is O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1)C1CCCCCCC1.
What is the InChIKey of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide?
The InChIKey is AKNDTZJYMUKFSM-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H30N2O3S/c20-17(14-8-4-2-1-3-5-9-14)18-15-12-23(21,22)13-16(15)19-10-6-7-11-19/h14-16H,1-13H2,(H,18,20)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide?
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide has a molecular weight of 342.51 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide is sourced from PubChem (CID 97216677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).