1-cyclobutylsulfonylpiperidine;methyl formate

C11H21NO4S — CID 142545089

IUPAC1-cyclobutylsulfonylpiperidine;methyl formate
SMILESCOC=O.O=S(=O)(C1CCC1)N1CCCCC1
InChIInChI=1S/C9H17NO2S.C2H4O2/c11-13(12,9-5-4-6-9)10-7-2-1-3-8-10;1-4-2-3/h9H,1-8H2;2H,1H3
InChIKeyNDLMIJOJROEDGN-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.14
Rot. Bonds3

About 1-cyclobutylsulfonylpiperidine;methyl formate

1-cyclobutylsulfonylpiperidine;methyl formate (PubChem CID 142545089) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-cyclobutylsulfonylpiperidine;methyl formate.

Molecular Properties

Compound Name1-cyclobutylsulfonylpiperidine;methyl formate
PubChem CID142545089
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1-cyclobutylsulfonylpiperidine;methyl formate
SMILESCOC=O.O=S(=O)(C1CCC1)N1CCCCC1
InChIInChI=1S/C9H17NO2S.C2H4O2/c11-13(12,9-5-4-6-9)10-7-2-1-3-8-10;1-4-2-3/h9H,1-8H2;2H,1H3
InChIKeyNDLMIJOJROEDGN-UHFFFAOYSA-N
XLogP1.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylsulfonyl-4-methylazepan-4-ol
CID 107406961
1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine
CID 96509377
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
CID 115602676
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63879288
tert-butyl 4-pyrrolidin-1-ylsulfonylpiperidine-1-carboxylate
CID 59560785
(3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine
CID 97417153
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
1-butan-2-yl-4-cyclobutylsulfonylpiperazine
CID 130440353
1-cyclopropylsulfonyl-4-methylpiperazine
CID 59576558
4-chloro-1-cyclopropylsulfonylpiperidine
CID 64552242

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylsulfonylpiperidine;methyl formate?
The IUPAC name of 1-cyclobutylsulfonylpiperidine;methyl formate (CID 142545089) is 1-cyclobutylsulfonylpiperidine;methyl formate.
What is the SMILES notation for 1-cyclobutylsulfonylpiperidine;methyl formate?
The canonical SMILES for 1-cyclobutylsulfonylpiperidine;methyl formate is COC=O.O=S(=O)(C1CCC1)N1CCCCC1.
What is the InChIKey of 1-cyclobutylsulfonylpiperidine;methyl formate?
The InChIKey is NDLMIJOJROEDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S.C2H4O2/c11-13(12,9-5-4-6-9)10-7-2-1-3-8-10;1-4-2-3/h9H,1-8H2;2H,1H3.
What are the key properties of 1-cyclobutylsulfonylpiperidine;methyl formate?
1-cyclobutylsulfonylpiperidine;methyl formate has a molecular weight of 263.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylsulfonylpiperidine;methyl formate is sourced from PubChem (CID 142545089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).