tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate

C10H20N2O2S — CID 84795643

IUPACtert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CN)CCSC1
InChIInChI=1S/C10H20N2O2S/c1-9(2,3)14-8(13)12-10(6-11)4-5-15-7-10/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyRCKLMRJHFJRTDK-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.35
Rot. Bonds2

About tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate

tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate (PubChem CID 84795643) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate
PubChem CID84795643
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Nametert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CN)CCSC1
InChIInChI=1S/C10H20N2O2S/c1-9(2,3)14-8(13)12-10(6-11)4-5-15-7-10/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyRCKLMRJHFJRTDK-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[(3-aminothian-3-yl)methyl]carbamate
CID 84803204
tert-butyl N-[1-[dideuterio(iodo)methyl]cyclopropyl]carbamate
CID 175970767
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
CID 167726383
tert-butyl (3R)-3-aminothiolane-3-carboxylate
CID 124868145
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate
CID 163598216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate (CID 84795643) is tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate is CC(C)(C)OC(=O)NC1(CN)CCSC1.
What is the InChIKey of tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate?
The InChIKey is RCKLMRJHFJRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9(2,3)14-8(13)12-10(6-11)4-5-15-7-10/h4-7,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate?
tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate has a molecular weight of 232.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate is sourced from PubChem (CID 84795643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).