tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate

C16H30N2O3S — CID 107255374

IUPACtert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NCC1CCSC1
InChIInChI=1S/C16H30N2O3S/c1-5-20-13-8-12(18-15(19)21-16(2,3)4)14(13)17-9-11-6-7-22-10-11/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyRBXRXTPZKDWJHD-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.40
Rot. Bonds6

About tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate

tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate (PubChem CID 107255374) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate
PubChem CID107255374
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Nametert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NCC1CCSC1
InChIInChI=1S/C16H30N2O3S/c1-5-20-13-8-12(18-15(19)21-16(2,3)4)14(13)17-9-11-6-7-22-10-11/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyRBXRXTPZKDWJHD-UHFFFAOYSA-N
XLogP2.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.40
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-[8-(thiolan-3-ylmethylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255682
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-3-ethoxycyclobutyl]carbamate
CID 107255353
tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate
CID 107255309
tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate
CID 107255426
3-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic acid
CID 21362472
tert-butyl N-(2-propoxycyclopropyl)carbamate
CID 174856603
tert-butyl N-[2-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238131
tert-butyl N-[(3R,4R)-3-formylthian-4-yl]carbamate
CID 59095027
tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694
tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255414
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate (CID 107255374) is tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate is CCOC1CC(NC(=O)OC(C)(C)C)C1NCC1CCSC1.
What is the InChIKey of tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate?
The InChIKey is RBXRXTPZKDWJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-5-20-13-8-12(18-15(19)21-16(2,3)4)14(13)17-9-11-6-7-22-10-11/h11-14,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate has a molecular weight of 330.49 g/mol, XLogP of 2.40, 6 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-(thiolan-3-ylmethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 107255374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).