tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate

C21H37N3O4S — CID 166150816

IUPACtert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](CN2CC3(CCC(NS(=O)(=O)C4CC4)CC3)C2)C1
InChIInChI=1S/C21H37N3O4S/c1-20(2,3)28-19(25)24-11-8-16(13-24)12-23-14-21(15-23)9-6-17(7-10-21)22-29(26,27)18-4-5-18/h16-18,22H,4-15H2,1-3H3/t16-/m0/s1
InChIKeyUBPQIXUHPIDPTK-INIZCTEOSA-N
MW427.61 g/mol
LogP2.57
Rot. Bonds5

About tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 166150816) has the molecular formula C21H37N3O4S and a molecular weight of 427.61 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID166150816
Molecular FormulaC21H37N3O4S
Molecular Weight427.61 g/mol
Exact Mass427.25
IUPAC Nametert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](CN2CC3(CCC(NS(=O)(=O)C4CC4)CC3)C2)C1
InChIInChI=1S/C21H37N3O4S/c1-20(2,3)28-19(25)24-11-8-16(13-24)12-23-14-21(15-23)9-6-17(7-10-21)22-29(26,27)18-4-5-18/h16-18,22H,4-15H2,1-3H3/t16-/m0/s1
InChIKeyUBPQIXUHPIDPTK-INIZCTEOSA-N
XLogP2.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-[1-(aminomethyl)cyclopropyl]sulfonylpyrrolidine-1-carboxylate
CID 155894661
2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetate
CID 35549272
tert-butyl 3-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242429
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl (3R)-3-[(oxan-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 68999639

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate (CID 166150816) is tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](CN2CC3(CCC(NS(=O)(=O)C4CC4)CC3)C2)C1.
What is the InChIKey of tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is UBPQIXUHPIDPTK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H37N3O4S/c1-20(2,3)28-19(25)24-11-8-16(13-24)12-23-14-21(15-23)9-6-17(7-10-21)22-29(26,27)18-4-5-18/h16-18,22H,4-15H2,1-3H3/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 427.61 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 166150816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).