4-tert-butylpiperidine-1-sulfonyl chloride

C9H18ClNO2S — CID 62089689

IUPAC4-tert-butylpiperidine-1-sulfonyl chloride
SMILESCC(C)(C)C1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-9(2,3)8-4-6-11(7-5-8)14(10,12)13/h8H,4-7H2,1-3H3
InChIKeyYVFQNPFZUSXBEL-UHFFFAOYSA-N
MW239.77 g/mol
LogP2.23
Rot. Bonds1

About 4-tert-butylpiperidine-1-sulfonyl chloride

4-tert-butylpiperidine-1-sulfonyl chloride (PubChem CID 62089689) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 4-tert-butylpiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-tert-butylpiperidine-1-sulfonyl chloride
PubChem CID62089689
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name4-tert-butylpiperidine-1-sulfonyl chloride
SMILESCC(C)(C)C1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-9(2,3)8-4-6-11(7-5-8)14(10,12)13/h8H,4-7H2,1-3H3
InChIKeyYVFQNPFZUSXBEL-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpiperidine-1-sulfonyl chloride?
The IUPAC name of 4-tert-butylpiperidine-1-sulfonyl chloride (CID 62089689) is 4-tert-butylpiperidine-1-sulfonyl chloride.
What is the SMILES notation for 4-tert-butylpiperidine-1-sulfonyl chloride?
The canonical SMILES for 4-tert-butylpiperidine-1-sulfonyl chloride is CC(C)(C)C1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-tert-butylpiperidine-1-sulfonyl chloride?
The InChIKey is YVFQNPFZUSXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-9(2,3)8-4-6-11(7-5-8)14(10,12)13/h8H,4-7H2,1-3H3.
What are the key properties of 4-tert-butylpiperidine-1-sulfonyl chloride?
4-tert-butylpiperidine-1-sulfonyl chloride has a molecular weight of 239.77 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpiperidine-1-sulfonyl chloride is sourced from PubChem (CID 62089689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).