benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate

C14H18N2O4S — CID 146024173

IUPACbenzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
SMILESO=C(NC1CN(S(=O)(=O)C2CC2)C1)OCc1ccccc1
InChIInChI=1S/C14H18N2O4S/c17-14(20-10-11-4-2-1-3-5-11)15-12-8-16(9-12)21(18,19)13-6-7-13/h1-5,12-13H,6-10H2,(H,15,17)
InChIKeySQLOMYWHUXRGNN-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.09
Rot. Bonds5

About benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate

benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate (PubChem CID 146024173) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
PubChem CID146024173
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Namebenzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
SMILESO=C(NC1CN(S(=O)(=O)C2CC2)C1)OCc1ccccc1
InChIInChI=1S/C14H18N2O4S/c17-14(20-10-11-4-2-1-3-5-11)15-12-8-16(9-12)21(18,19)13-6-7-13/h1-5,12-13H,6-10H2,(H,15,17)
InChIKeySQLOMYWHUXRGNN-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate?
The IUPAC name of benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate (CID 146024173) is benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate is O=C(NC1CN(S(=O)(=O)C2CC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate?
The InChIKey is SQLOMYWHUXRGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-14(20-10-11-4-2-1-3-5-11)15-12-8-16(9-12)21(18,19)13-6-7-13/h1-5,12-13H,6-10H2,(H,15,17).
What are the key properties of benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate?
benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate has a molecular weight of 310.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate is sourced from PubChem (CID 146024173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).