N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide

C10H19N3O3S — CID 69093038

IUPACN-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)N2CCC2)CC1
InChIInChI=1S/C10H19N3O3S/c1-17(15,16)13-7-3-9(4-8-13)11-10(14)12-5-2-6-12/h9H,2-8H2,1H3,(H,11,14)
InChIKeyBCRCLBLDCDERAV-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.17
Rot. Bonds2

About N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide

N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide (PubChem CID 69093038) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide
PubChem CID69093038
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)N2CCC2)CC1
InChIInChI=1S/C10H19N3O3S/c1-17(15,16)13-7-3-9(4-8-13)11-10(14)12-5-2-6-12/h9H,2-8H2,1H3,(H,11,14)
InChIKeyBCRCLBLDCDERAV-UHFFFAOYSA-N
XLogP-0.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide (CID 69093038) is N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide is CS(=O)(=O)N1CCC(NC(=O)N2CCC2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide?
The InChIKey is BCRCLBLDCDERAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-17(15,16)13-7-3-9(4-8-13)11-10(14)12-5-2-6-12/h9H,2-8H2,1H3,(H,11,14).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide?
N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide has a molecular weight of 261.35 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide is sourced from PubChem (CID 69093038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).