methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate

C15H20N2O4S — CID 72539502

IUPACmethyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)C2CC2)c(C2CCCN2)c1
InChIInChI=1S/C15H20N2O4S/c1-21-15(18)17-10-4-7-14(22(19,20)11-5-6-11)12(9-10)13-3-2-8-16-13/h4,7,9,11,13,16H,2-3,5-6,8H2,1H3,(H,17,18)
InChIKeyZIAFMYJRFRLZCO-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.23
Rot. Bonds4

About methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate

methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate (PubChem CID 72539502) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate
PubChem CID72539502
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Namemethyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)C2CC2)c(C2CCCN2)c1
InChIInChI=1S/C15H20N2O4S/c1-21-15(18)17-10-4-7-14(22(19,20)11-5-6-11)12(9-10)13-3-2-8-16-13/h4,7,9,11,13,16H,2-3,5-6,8H2,1H3,(H,17,18)
InChIKeyZIAFMYJRFRLZCO-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935
tert-butyl N-[4-[(2S)-pyrrolidin-2-yl]phenyl]carbamate
CID 130779938
methyl 4-propan-2-ylsulfonyl-3-pyrrolidin-2-ylbenzoate
CID 69473161
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
CID 117489419
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
methyl 4-methyl-3-pyrrolidin-2-ylbenzoate
CID 57440534
tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
CID 45357060
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
CID 66518494
methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate
CID 131277103
4-(methoxycarbonylamino)-2-[(2S,3R)-3-methoxycarbonylpyrrolidin-2-yl]benzenesulfinic acid
CID 70953763

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate?
The IUPAC name of methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate (CID 72539502) is methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate?
The canonical SMILES for methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate is COC(=O)Nc1ccc(S(=O)(=O)C2CC2)c(C2CCCN2)c1.
What is the InChIKey of methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate?
The InChIKey is ZIAFMYJRFRLZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-21-15(18)17-10-4-7-14(22(19,20)11-5-6-11)12(9-10)13-3-2-8-16-13/h4,7,9,11,13,16H,2-3,5-6,8H2,1H3,(H,17,18).
What are the key properties of methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate?
methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate has a molecular weight of 324.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-cyclopropylsulfonyl-3-pyrrolidin-2-ylphenyl)carbamate is sourced from PubChem (CID 72539502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).