tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate

C16H26N4O4S — CID 178023798

IUPACtert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
SMILESCNS(=O)(=O)c1cc(/C=C/C[C@H](C)NC(=O)OC(C)(C)C)cnc1N
InChIInChI=1S/C16H26N4O4S/c1-11(20-15(21)24-16(2,3)4)7-6-8-12-9-13(14(17)19-10-12)25(22,23)18-5/h6,8-11,18H,7H2,1-5H3,(H2,17,19)(H,20,21)/b8-6+/t11-/m0/s1
InChIKeyALGVXMJIYFSLSB-IOCXFXADSA-N
MW370.48 g/mol
LogP1.89
Rot. Bonds6

About tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate

tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate (PubChem CID 178023798) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
PubChem CID178023798
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Nametert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
SMILESCNS(=O)(=O)c1cc(/C=C/C[C@H](C)NC(=O)OC(C)(C)C)cnc1N
InChIInChI=1S/C16H26N4O4S/c1-11(20-15(21)24-16(2,3)4)7-6-8-12-9-13(14(17)19-10-12)25(22,23)18-5/h6,8-11,18H,7H2,1-5H3,(H2,17,19)(H,20,21)/b8-6+/t11-/m0/s1
InChIKeyALGVXMJIYFSLSB-IOCXFXADSA-N
XLogP1.89
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate 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 N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate
CID 178023889
tert-butyl N-[(E,2S)-5-[6-amino-5-(dimethylcarbamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate
CID 178023539
tert-butyl N-[(E,2S)-5-(6-amino-4-chloro-5-methoxy-3-pyridinyl)pent-4-en-2-yl]carbamate
CID 178024399
tert-butyl N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490429
tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate
CID 178023884
2-amino-5-[(E,4S)-4-aminopent-1-enyl]-N,N-dimethylpyridine-3-sulfonamide;dihydrochloride
CID 178024264
tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate
CID 170490568
tert-butyl N-[(2S)-5-(2-amino-4-chloropyrimidin-5-yl)pent-4-yn-2-yl]carbamate
CID 178023696
methyl 2-(3,4-dichlorophenyl)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetate
CID 169115979
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620
methyl 2-(4-bromophenyl)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetate
CID 169115192
(E,2R)-2-[(2S)-2-[[(E,2R)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-phenylpent-4-enoyl]amino]propyl]-5-phenylpent-4-enoic acid
CID 100974902

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate (CID 178023798) is tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate is CNS(=O)(=O)c1cc(/C=C/C[C@H](C)NC(=O)OC(C)(C)C)cnc1N.
What is the InChIKey of tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate?
The InChIKey is ALGVXMJIYFSLSB-IOCXFXADSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11(20-15(21)24-16(2,3)4)7-6-8-12-9-13(14(17)19-10-12)25(22,23)18-5/h6,8-11,18H,7H2,1-5H3,(H2,17,19)(H,20,21)/b8-6+/t11-/m0/s1.
What are the key properties of tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate?
tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate has a molecular weight of 370.48 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,2S)-5-[6-amino-5-(methylsulfamoyl)-3-pyridinyl]pent-4-en-2-yl]carbamate is sourced from PubChem (CID 178023798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).