tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate

C17H25ClN2O4S — CID 97171783

IUPACtert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClN2O4S/c1-17(2,3)24-16(21)20-9-5-8-15(11-20)19-25(22,23)12-13-6-4-7-14(18)10-13/h4,6-7,10,15,19H,5,8-9,11-12H2,1-3H3/t15-/m1/s1
InChIKeyKICPXKUSHRZNNK-OAHLLOKOSA-N
MW388.92 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate (PubChem CID 97171783) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate
PubChem CID97171783
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Nametert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClN2O4S/c1-17(2,3)24-16(21)20-9-5-8-15(11-20)19-25(22,23)12-13-6-4-7-14(18)10-13/h4,6-7,10,15,19H,5,8-9,11-12H2,1-3H3/t15-/m1/s1
InChIKeyKICPXKUSHRZNNK-OAHLLOKOSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(3-chlorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 71646987
tert-butyl (3S)-3-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97171780
tert-butyl (3S)-3-[(4-methoxyphenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97168234
tert-butyl 4-[[(3-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71630261
tert-butyl (3R)-3-[(2-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97171789
tert-butyl (3R)-3-[[3-(bromomethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 97171763
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 11631457
tert-butyl 3-[(4-bromophenyl)methylsulfonylamino]pyrrolidine-1-carboxylate
CID 71629704
tert-butyl N-[1-[(3-chlorophenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71632046
tert-butyl 4-[(3-chlorophenyl)methylsulfanylamino]piperidine-1-carboxylate
CID 146340530
tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate
CID 107241465

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate (CID 97171783) is tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate?
The InChIKey is KICPXKUSHRZNNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-17(2,3)24-16(21)20-9-5-8-15(11-20)19-25(22,23)12-13-6-4-7-14(18)10-13/h4,6-7,10,15,19H,5,8-9,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate has a molecular weight of 388.92 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 97171783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).