4-carbamoylpiperidine-1-sulfonyl chloride

C6H11ClN2O3S — CID 16786397

IUPAC4-carbamoylpiperidine-1-sulfonyl chloride
SMILESNC(=O)C1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H11ClN2O3S/c7-13(11,12)9-3-1-5(2-4-9)6(8)10/h5H,1-4H2,(H2,8,10)
InChIKeyKBIKQCHOKWNXRO-UHFFFAOYSA-N
MW226.68 g/mol
LogP-0.33
Rot. Bonds2

About 4-carbamoylpiperidine-1-sulfonyl chloride

4-carbamoylpiperidine-1-sulfonyl chloride (PubChem CID 16786397) has the molecular formula C6H11ClN2O3S and a molecular weight of 226.68 g/mol. Its IUPAC name is 4-carbamoylpiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-carbamoylpiperidine-1-sulfonyl chloride
PubChem CID16786397
Molecular FormulaC6H11ClN2O3S
Molecular Weight226.68 g/mol
Exact Mass226.02
IUPAC Name4-carbamoylpiperidine-1-sulfonyl chloride
SMILESNC(=O)C1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H11ClN2O3S/c7-13(11,12)9-3-1-5(2-4-9)6(8)10/h5H,1-4H2,(H2,8,10)
InChIKeyKBIKQCHOKWNXRO-UHFFFAOYSA-N
XLogP-0.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoylpiperidine-1-sulfonyl chloride?
The IUPAC name of 4-carbamoylpiperidine-1-sulfonyl chloride (CID 16786397) is 4-carbamoylpiperidine-1-sulfonyl chloride.
What is the SMILES notation for 4-carbamoylpiperidine-1-sulfonyl chloride?
The canonical SMILES for 4-carbamoylpiperidine-1-sulfonyl chloride is NC(=O)C1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-carbamoylpiperidine-1-sulfonyl chloride?
The InChIKey is KBIKQCHOKWNXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O3S/c7-13(11,12)9-3-1-5(2-4-9)6(8)10/h5H,1-4H2,(H2,8,10).
What are the key properties of 4-carbamoylpiperidine-1-sulfonyl chloride?
4-carbamoylpiperidine-1-sulfonyl chloride has a molecular weight of 226.68 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoylpiperidine-1-sulfonyl chloride is sourced from PubChem (CID 16786397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).