tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate

C19H33N5O4S — CID 146431304

IUPACtert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate
SMILESC[C@@H]1CC1N(C(=O)OC(C)(C)C)C1CCN(C2(CC#N)CN(S(N)(=O)=O)C2)CC1
InChIInChI=1S/C19H33N5O4S/c1-14-11-16(14)24(17(25)28-18(2,3)4)15-5-9-22(10-6-15)19(7-8-20)12-23(13-19)29(21,26)27/h14-16H,5-7,9-13H2,1-4H3,(H2,21,26,27)/t14-,16?/m1/s1
InChIKeyHJYBFDGVIARULL-IURRXHLWSA-N
MW427.57 g/mol
LogP1.27
Rot. Bonds5

About tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate

tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate (PubChem CID 146431304) has the molecular formula C19H33N5O4S and a molecular weight of 427.57 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate
PubChem CID146431304
Molecular FormulaC19H33N5O4S
Molecular Weight427.57 g/mol
Exact Mass427.23
IUPAC Nametert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate
SMILESC[C@@H]1CC1N(C(=O)OC(C)(C)C)C1CCN(C2(CC#N)CN(S(N)(=O)=O)C2)CC1
InChIInChI=1S/C19H33N5O4S/c1-14-11-16(14)24(17(25)28-18(2,3)4)15-5-9-22(10-6-15)19(7-8-20)12-23(13-19)29(21,26)27/h14-16H,5-7,9-13H2,1-4H3,(H2,21,26,27)/t14-,16?/m1/s1
InChIKeyHJYBFDGVIARULL-IURRXHLWSA-N
XLogP1.27
TPSA119.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 146423959
N-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297870
tert-butyl-[3-(cyanomethyl)-3-(4-oxopiperidin-1-yl)azetidin-1-yl]sulfonylcarbamic acid
CID 146423712
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl 3-(cyanomethyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxylate
CID 146423956
tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate
CID 66566246
tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 129279853
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
CID 71276149
benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 142021413
tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate
CID 167723970
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate (CID 146431304) is tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate is C[C@@H]1CC1N(C(=O)OC(C)(C)C)C1CCN(C2(CC#N)CN(S(N)(=O)=O)C2)CC1.
What is the InChIKey of tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate?
The InChIKey is HJYBFDGVIARULL-IURRXHLWSA-N. The full InChI is InChI=1S/C19H33N5O4S/c1-14-11-16(14)24(17(25)28-18(2,3)4)15-5-9-22(10-6-15)19(7-8-20)12-23(13-19)29(21,26)27/h14-16H,5-7,9-13H2,1-4H3,(H2,21,26,27)/t14-,16?/m1/s1.
What are the key properties of tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate?
tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate has a molecular weight of 427.57 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(cyanomethyl)-1-sulfamoylazetidin-3-yl]piperidin-4-yl]-N-[(2R)-2-methylcyclopropyl]carbamate is sourced from PubChem (CID 146431304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).