tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate

C15H24N2O4S2 — CID 97167683

IUPACtert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H24N2O4S2/c1-15(2,3)21-14(18)17-8-7-12(11-17)10-16(4)23(19,20)13-6-5-9-22-13/h5-6,9,12H,7-8,10-11H2,1-4H3/t12-/m0/s1
InChIKeySMYYWGPKHUCPJB-LBPRGKRZSA-N
MW360.50 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 97167683) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate
PubChem CID97167683
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Nametert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate
SMILESCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H24N2O4S2/c1-15(2,3)21-14(18)17-8-7-12(11-17)10-16(4)23(19,20)13-6-5-9-22-13/h5-6,9,12H,7-8,10-11H2,1-4H3/t12-/m0/s1
InChIKeySMYYWGPKHUCPJB-LBPRGKRZSA-N
XLogP2.63
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647811
tert-butyl (3R)-3-[[(5-bromothiophen-2-yl)sulfonyl-methylamino]methyl]piperidine-1-carboxylate
CID 97167385
tert-butyl 3-[(2-oxo-2-thiophen-2-ylethoxy)methyl]pyrrolidine-1-carboxylate
CID 71630347
tert-butyl (3R)-3-[[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]methyl]piperidine-1-carboxylate
CID 97167354
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235
tert-butyl (3S)-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167671
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
CID 155681430
tert-butyl (3S)-3-[[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97167653
tert-butyl (3S)-3-[[(3-methoxypyrazin-2-yl)methyl-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97168249
N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 91905220
tert-butyl 4-[[(2-oxo-2-thiophen-2-ylethyl)amino]methyl]piperidine-1-carboxylate
CID 71630218

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate (CID 97167683) is tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate is CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccs1.
What is the InChIKey of tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is SMYYWGPKHUCPJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-15(2,3)21-14(18)17-8-7-12(11-17)10-16(4)23(19,20)13-6-5-9-22-13/h5-6,9,12H,7-8,10-11H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 97167683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).