tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate

C9H18N2O2S — CID 7145120

IUPACtert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@@H]1CN
InChIInChI=1S/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,4-6,10H2,1-3H3/t7-/m0/s1
InChIKeyXRUIGLRQDKZXKJ-ZETCQYMHSA-N
MW218.32 g/mol
LogP1.26
Rot. Bonds1

About tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate

tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 7145120) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate
PubChem CID7145120
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Nametert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@@H]1CN
InChIInChI=1S/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,4-6,10H2,1-3H3/t7-/m0/s1
InChIKeyXRUIGLRQDKZXKJ-ZETCQYMHSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidin-4-yl]methylazanium
CID 11885467
3-O-tert-butyl 4-O-(chloromethyl) 1,3-thiazolidine-3,4-dicarboxylate
CID 85120063
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 688405
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 131124333
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
tert-butyl (1R,4S,6R)-4-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59363697
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
3-O-tert-butyl 4-O-(2-ethoxyethyl) (4R)-1,3-thiazolidine-3,4-dicarboxylate
CID 95631628
3-O-tert-butyl 4-O-(2-ethoxyethyl) 1,3-thiazolidine-3,4-dicarboxylate
CID 56806168
3-O-tert-butyl 4-O-[2-(2-methoxyethoxy)ethyl] (4R)-1,3-thiazolidine-3,4-dicarboxylate
CID 95631649
tert-butyl 2-(aminomethyl)-4-methoxypyrrolidine-1-carboxylate
CID 77452832

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate (CID 7145120) is tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CSC[C@@H]1CN.
What is the InChIKey of tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is XRUIGLRQDKZXKJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,4-6,10H2,1-3H3/t7-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate?
tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate has a molecular weight of 218.32 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 7145120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).