N-(1-methylsulfonylpiperidin-4-yl)formamide

C7H14N2O3S — CID 64992329

IUPACN-(1-methylsulfonylpiperidin-4-yl)formamide
SMILESCS(=O)(=O)N1CCC(NC=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-7(3-5-9)8-6-10/h6-7H,2-5H2,1H3,(H,8,10)
InChIKeyPWRONCHEKHMNJZ-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.84
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-4-yl)formamide

N-(1-methylsulfonylpiperidin-4-yl)formamide (PubChem CID 64992329) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)formamide
PubChem CID64992329
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)formamide
SMILESCS(=O)(=O)N1CCC(NC=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-7(3-5-9)8-6-10/h6-7H,2-5H2,1H3,(H,8,10)
InChIKeyPWRONCHEKHMNJZ-UHFFFAOYSA-N
XLogP-0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-methylsulfonylpiperidin-4-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)formamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)formamide (CID 64992329) is N-(1-methylsulfonylpiperidin-4-yl)formamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)formamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)formamide is CS(=O)(=O)N1CCC(NC=O)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)formamide?
The InChIKey is PWRONCHEKHMNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-7(3-5-9)8-6-10/h6-7H,2-5H2,1H3,(H,8,10).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)formamide?
N-(1-methylsulfonylpiperidin-4-yl)formamide has a molecular weight of 206.27 g/mol, XLogP of -0.84, 3 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)formamide is sourced from PubChem (CID 64992329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).