tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate

C10H18ClNO4S — CID 45789737

IUPACtert-butyl 4-chlorosulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)Cl
InChIInChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)17(11,14)15/h8H,4-7H2,1-3H3
InChIKeyVJAHMDQRVLEOFG-UHFFFAOYSA-N
MW283.77 g/mol
LogP1.80
Rot. Bonds3

About tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate

tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate (PubChem CID 45789737) has the molecular formula C10H18ClNO4S and a molecular weight of 283.77 g/mol. Its IUPAC name is tert-butyl 4-chlorosulfonylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate
PubChem CID45789737
Molecular FormulaC10H18ClNO4S
Molecular Weight283.77 g/mol
Exact Mass283.06
IUPAC Nametert-butyl 4-chlorosulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)Cl
InChIInChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)17(11,14)15/h8H,4-7H2,1-3H3
InChIKeyVJAHMDQRVLEOFG-UHFFFAOYSA-N
XLogP1.80
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity374

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-Butoxycarbonyl)-4-(methanesulfonyloxy)piperidine
CID 4184869
Tert-butyl 4-sulfamoylpiperidine-1-carboxylate
CID 66589106
Sodium 1-[(tert-butoxy)carbonyl]piperidine-4-sulfinate
CID 130141517
sodium (3R)-1-((tert-butoxy)carbonyl)piperidine-3-sulfinate
CID 155819765
tert-Butyl 4-sulfanylpiperidine-1-carboxylate
CID 21906090
Tert-butyl 1,1-dioxo-1lambda6-thiomorpholine-4-carboxylate
CID 21949260
Ethyl 4-(chlorosulfonyl)piperidine-1-carboxylate
CID 54592751
tert-Butyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate
CID 59560777
Tert-butyl 4-[(chlorosulfonyl)methyl]piperidine-1-carboxylate
CID 72212376
1-Piperidinecarboxylic acid, 3-(chlorosulfonyl)-, 1,1-dimethylethyl ester
CID 72213028
tert-butyl (3S)-3-(chlorosulfonyl)pyrrolidine-1-carboxylate
CID 98051998
tert-butyl (3S)-3-((chlorosulfonyl)methyl)piperidine-1-carboxylate
CID 98461158

Frequently Asked Questions

What is the IUPAC name of tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate?
The IUPAC name of tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate (CID 45789737) is tert-butyl 4-chlorosulfonylpiperidine-1-carboxylate.
What is the SMILES notation for tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)Cl.
What is the InChIKey of tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate?
The InChIKey is VJAHMDQRVLEOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)17(11,14)15/h8H,4-7H2,1-3H3.
What are the key properties of tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate?
tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate has a molecular weight of 283.77 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-Butyl 4-(chlorosulfonyl)piperidine-1-carboxylate is sourced from PubChem (CID 45789737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).