benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate

C15H20N2O6S — CID 90792459

IUPACbenzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate
SMILESO=C(NS(=O)(=O)N1CCC2(CC1)OCCO2)OCc1ccccc1
InChIInChI=1S/C15H20N2O6S/c18-14(21-12-13-4-2-1-3-5-13)16-24(19,20)17-8-6-15(7-9-17)22-10-11-23-15/h1-5H,6-12H2,(H,16,18)
InChIKeyFQBOSBFGTHCQOT-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.00
Rot. Bonds4

About benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate

benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate (PubChem CID 90792459) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate
PubChem CID90792459
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Namebenzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate
SMILESO=C(NS(=O)(=O)N1CCC2(CC1)OCCO2)OCc1ccccc1
InChIInChI=1S/C15H20N2O6S/c18-14(21-12-13-4-2-1-3-5-13)16-24(19,20)17-8-6-15(7-9-17)22-10-11-23-15/h1-5H,6-12H2,(H,16,18)
InChIKeyFQBOSBFGTHCQOT-UHFFFAOYSA-N
XLogP1.00
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 59226068
8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
CID 15123244
methyl (2S)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(phenylmethoxycarbonylamino)acetate
CID 58911777
benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 141094427
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 58208830
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl 8-(trifluoromethylsulfonyloxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;ethane
CID 144944598
benzyl N-[(3S)-1-[(7S,8S)-7-acetamido-1,4-dioxaspiro[4.5]decan-8-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 90834973
benzyl N-[(3S)-1-[(7R)-7-acetamido-1,4-dioxaspiro[4.5]decan-8-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 59315591
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
benzyl N-cyclohexylsulfonylcarbamate
CID 122231428

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate?
The IUPAC name of benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate (CID 90792459) is benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate.
What is the SMILES notation for benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate?
The canonical SMILES for benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate is O=C(NS(=O)(=O)N1CCC2(CC1)OCCO2)OCc1ccccc1.
What is the InChIKey of benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate?
The InChIKey is FQBOSBFGTHCQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c18-14(21-12-13-4-2-1-3-5-13)16-24(19,20)17-8-6-15(7-9-17)22-10-11-23-15/h1-5H,6-12H2,(H,16,18).
What are the key properties of benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate?
benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate has a molecular weight of 356.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate is sourced from PubChem (CID 90792459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).