tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate

C15H28N2O5S — CID 107255426

IUPACtert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H28N2O5S/c1-5-21-12-8-11(17-14(18)22-15(2,3)4)13(12)16-10-6-7-23(19,20)9-10/h10-13,16H,5-9H2,1-4H3,(H,17,18)
InChIKeyRNKDGPBNPIIJSX-UHFFFAOYSA-N
MW348.47 g/mol
LogP0.83
Rot. Bonds5

About tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate

tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate (PubChem CID 107255426) has the molecular formula C15H28N2O5S and a molecular weight of 348.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate
PubChem CID107255426
Molecular FormulaC15H28N2O5S
Molecular Weight348.47 g/mol
Exact Mass348.17
IUPAC Nametert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H28N2O5S/c1-5-21-12-8-11(17-14(18)22-15(2,3)4)13(12)16-10-6-7-23(19,20)9-10/h10-13,16H,5-9H2,1-4H3,(H,17,18)
InChIKeyRNKDGPBNPIIJSX-UHFFFAOYSA-N
XLogP0.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
CID 107255401
tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate
CID 107255309
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-3-ethoxycyclobutyl]carbamate
CID 107255353
tert-butyl N-[(3S,4R)-3-hydroxy-1,1-dioxothian-4-yl]carbamate
CID 178017060
tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate
CID 107255374
tert-butyl N-[2-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238131
tert-butyl N-[(3R,4R)-3-amino-1,1-dioxothian-4-yl]carbamate
CID 90939247
tert-butyl N-(2-propoxycyclopropyl)carbamate
CID 174856603
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
CID 102613921
tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255274
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519
tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate (CID 107255426) is tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate is CCOC1CC(NC(=O)OC(C)(C)C)C1NC1CCS(=O)(=O)C1.
What is the InChIKey of tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate?
The InChIKey is RNKDGPBNPIIJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5S/c1-5-21-12-8-11(17-14(18)22-15(2,3)4)13(12)16-10-6-7-23(19,20)9-10/h10-13,16H,5-9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate?
tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate has a molecular weight of 348.47 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate is sourced from PubChem (CID 107255426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).