tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate

C16H30N2O4S — CID 107255309

IUPACtert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC1CCS(=O)CC1
InChIInChI=1S/C16H30N2O4S/c1-5-21-13-10-12(18-15(19)22-16(2,3)4)14(13)17-11-6-8-23(20)9-7-11/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyLIZDKLLRUKZMHM-UHFFFAOYSA-N
MW346.49 g/mol
LogP1.56
Rot. Bonds5

About tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate

tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate (PubChem CID 107255309) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate
PubChem CID107255309
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Nametert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC1CCS(=O)CC1
InChIInChI=1S/C16H30N2O4S/c1-5-21-13-10-12(18-15(19)22-16(2,3)4)14(13)17-11-6-8-23(20)9-7-11/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyLIZDKLLRUKZMHM-UHFFFAOYSA-N
XLogP1.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
CID 107255401
tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate
CID 107255426
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-3-ethoxycyclobutyl]carbamate
CID 107255353
tert-butyl N-[7-[(1-oxothian-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255498
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-(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
tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255414
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] propanoate
CID 175294543

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate (CID 107255309) is tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate is CCOC1CC(NC(=O)OC(C)(C)C)C1NC1CCS(=O)CC1.
What is the InChIKey of tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate?
The InChIKey is LIZDKLLRUKZMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-5-21-13-10-12(18-15(19)22-16(2,3)4)14(13)17-11-6-8-23(20)9-7-11/h11-14,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate has a molecular weight of 346.49 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 107255309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).