N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide

C10H18N2O3S — CID 7190340

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCCC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-5-2-1-3-6-12)11-9-4-7-16(14,15)8-9/h9H,1-8H2,(H,11,13)/t9-/m1/s1
InChIKeyVEEVBWYULUVYCY-SECBINFHSA-N
MW246.33 g/mol
LogP0.37
Rot. Bonds1

About N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide (PubChem CID 7190340) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
PubChem CID7190340
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCCC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-5-2-1-3-6-12)11-9-4-7-16(14,15)8-9/h9H,1-8H2,(H,11,13)/t9-/m1/s1
InChIKeyVEEVBWYULUVYCY-SECBINFHSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Piperidylthioxomethyl)amino]thiolane-1,1-dione
CID 2906463
N-(1,1-dioxidotetrahydrothiophen-3-yl)piperidine-1-carboxamide
CID 661573
N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-1-carboxamide
CID 2906114
N-cyclobutyl-3-sulfamoylpiperidine-1-carboxamide
CID 116658849
N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
CID 93913810
N-cyclopentyl-4-(isobutylsulfonyl)piperidine-1-carboxamide
CID 76148518
N-ethyl-4-(2-((ethylthio)methyl)pyrrolidin-1-yl)piperidine-1-carboxamide
CID 76148995
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-isopropyl-1-methylurea
CID 47236061
1-(1,1-Dioxothiolan-3-yl)-3-(2-piperidin-1-ylethyl)urea
CID 47237226
1-[(1,1-Dioxothiolan-3-yl)methyl]-3-(2-piperidin-1-ylethyl)urea
CID 71893516
3-Cyclohexyl-1-(2-methylsulfonylethyl)-1-propan-2-ylurea
CID 71907570
1-(1,1-Dioxothian-3-yl)-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 75443363

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide (CID 7190340) is N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCCC1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The InChIKey is VEEVBWYULUVYCY-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(12-5-2-1-3-6-12)11-9-4-7-16(14,15)8-9/h9H,1-8H2,(H,11,13)/t9-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 7190340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).