N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide

C10H18N2O3S — CID 99976964

IUPACN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide
SMILESO=CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1
InChIInChI=1S/C10H18N2O3S/c13-8-11-9-6-16(14,15)7-10(9)12-4-2-1-3-5-12/h8-10H,1-7H2,(H,11,13)/t9-,10-/m1/s1
InChIKeyGKPKAAMMCQYVNU-NXEZZACHSA-N
MW246.33 g/mol
LogP-0.62
Rot. Bonds3

About N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide

N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide (PubChem CID 99976964) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide
PubChem CID99976964
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide
SMILESO=CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1
InChIInChI=1S/C10H18N2O3S/c13-8-11-9-6-16(14,15)7-10(9)12-4-2-1-3-5-12/h8-10H,1-7H2,(H,11,13)/t9-,10-/m1/s1
InChIKeyGKPKAAMMCQYVNU-NXEZZACHSA-N
XLogP-0.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
CID 97216677
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
CID 95313255
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
CID 95281956
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)formamide
CID 64992652
N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide
CID 99976981
(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 124729767
(3R,4S)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 95305294
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
(3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine
CID 97213833

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide?
The IUPAC name of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide (CID 99976964) is N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide.
What is the SMILES notation for N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide?
The canonical SMILES for N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide is O=CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1.
What is the InChIKey of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide?
The InChIKey is GKPKAAMMCQYVNU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-8-11-9-6-16(14,15)7-10(9)12-4-2-1-3-5-12/h8-10H,1-7H2,(H,11,13)/t9-,10-/m1/s1.
What are the key properties of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide?
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide has a molecular weight of 246.33 g/mol, XLogP of -0.62, 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-piperidin-1-ylthiolan-3-yl]formamide is sourced from PubChem (CID 99976964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).