methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate

C8H13NO4S — CID 146441803

IUPACmethyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)N2CCC2)CC1
InChIInChI=1S/C8H13NO4S/c1-13-7(10)8(3-4-8)14(11,12)9-5-2-6-9/h2-6H2,1H3
InChIKeyKYMZYLQPKNADHB-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.27
Rot. Bonds3

About methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate

methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate (PubChem CID 146441803) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
PubChem CID146441803
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Namemethyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)N2CCC2)CC1
InChIInChI=1S/C8H13NO4S/c1-13-7(10)8(3-4-8)14(11,12)9-5-2-6-9/h2-6H2,1H3
InChIKeyKYMZYLQPKNADHB-UHFFFAOYSA-N
XLogP-0.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
CID 115048528
1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid
CID 115048845
methyl 4-(4-phenylmethoxypiperidin-1-yl)sulfonyloxane-4-carboxylate
CID 18723313
methyl 4-[4-[(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]oxypiperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 162577567
methyl 1-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]cyclohexane-1-carboxylate
CID 35322838
methyl 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 43053414
methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate
CID 117037537
1-piperazin-1-ylsulfonylcyclopropane-1-carboxylic acid
CID 115040119
methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate
CID 58427978
methyl 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 22052652
methyl 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)cyclohexane-1-carboxylate
CID 23236638
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218

Frequently Asked Questions

What is the IUPAC name of methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate (CID 146441803) is methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate is COC(=O)C1(S(=O)(=O)N2CCC2)CC1.
What is the InChIKey of methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate?
The InChIKey is KYMZYLQPKNADHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-13-7(10)8(3-4-8)14(11,12)9-5-2-6-9/h2-6H2,1H3.
What are the key properties of methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate?
methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate has a molecular weight of 219.26 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 146441803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).