chlorosulfonyl pyrrolidine-1-carboxylate

C5H8ClNO4S — CID 156663996

IUPACchlorosulfonyl pyrrolidine-1-carboxylate
SMILESO=C(OS(=O)(=O)Cl)N1CCCC1
InChIInChI=1S/C5H8ClNO4S/c6-12(9,10)11-5(8)7-3-1-2-4-7/h1-4H2
InChIKeyNTPVRKYSNWSFOP-UHFFFAOYSA-N
MW213.64 g/mol
LogP0.70
Rot. Bonds1

About chlorosulfonyl pyrrolidine-1-carboxylate

chlorosulfonyl pyrrolidine-1-carboxylate (PubChem CID 156663996) has the molecular formula C5H8ClNO4S and a molecular weight of 213.64 g/mol. Its IUPAC name is chlorosulfonyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namechlorosulfonyl pyrrolidine-1-carboxylate
PubChem CID156663996
Molecular FormulaC5H8ClNO4S
Molecular Weight213.64 g/mol
Exact Mass212.99
IUPAC Namechlorosulfonyl pyrrolidine-1-carboxylate
SMILESO=C(OS(=O)(=O)Cl)N1CCCC1
InChIInChI=1S/C5H8ClNO4S/c6-12(9,10)11-5(8)7-3-1-2-4-7/h1-4H2
InChIKeyNTPVRKYSNWSFOP-UHFFFAOYSA-N
XLogP0.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze chlorosulfonyl pyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

piperidine-1-carboperoxoic acid
CID 18434275
(C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate
CID 154458652
carboxy piperidine-1-carboxylate
CID 154126035
ethyl azacycloundecane-1-carboxylate
CID 67670496
CID 123683302
CID 123683302
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075
fluoromethylsulfonyl piperidine-1-carboperoxoate
CID 140814449
3-chloropropyl pyrrolidine-1-carboxylate
CID 103970586
[(1R)-1-chloro-2-oxoethyl] pyrrolidine-1-carboxylate
CID 175450453
pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
fluoromethyl piperidine-1-carboxylate
CID 141168732

Frequently Asked Questions

What is the IUPAC name of chlorosulfonyl pyrrolidine-1-carboxylate?
The IUPAC name of chlorosulfonyl pyrrolidine-1-carboxylate (CID 156663996) is chlorosulfonyl pyrrolidine-1-carboxylate.
What is the SMILES notation for chlorosulfonyl pyrrolidine-1-carboxylate?
The canonical SMILES for chlorosulfonyl pyrrolidine-1-carboxylate is O=C(OS(=O)(=O)Cl)N1CCCC1.
What is the InChIKey of chlorosulfonyl pyrrolidine-1-carboxylate?
The InChIKey is NTPVRKYSNWSFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO4S/c6-12(9,10)11-5(8)7-3-1-2-4-7/h1-4H2.
What are the key properties of chlorosulfonyl pyrrolidine-1-carboxylate?
chlorosulfonyl pyrrolidine-1-carboxylate has a molecular weight of 213.64 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 156663996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).